ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 5401015

Chemical ID:

5401015

Name [?]:

2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-phenylthiazol-2-yl)-acetamide

SMILES [?]:

CCc1nnc(o1)SCC(=O)Nc2nc(cs2)c3ccccc3

InChi [?]:

InChI=1/C15H14N4O2S2/c1-2-13-18-19-15(21-13)23-9-12(20)17-14-16-11(8-22-14)10-6-4-3-5-7-10/h3-8H,2,9H2,1H3,(H,16,17,20)

InChi Info:

AuxInfo=1/1/N:1,2,21,20,22,19,23,16,9,18,15,10,3,13,6,14,12,4,5,11,7,17,8/E:(4,5)(6,7)/rA:23nCCCNNCOSCCONCNCCSCCCCCC/rB:s1;s2;d3;s4;d5;s3s6;s6;s8;s9;d10;s10;s12;d13;s14;d15;s13s16;s15;s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₁₄N₄O₂S₂
All Atoms:	23
Heavy Atoms:	23
Chiral Atoms:	0

ZAP Information [?]

Total:	10.7197
Area:	560.071
Solvation:	-3.28205
Coulombic:	-40.5512

Bond Count [?]

All:	25
Single:	17
Double:	8
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	346.429
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	3.49
LogP (Chemaxon):	3.19

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value