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Chemical ID: 3873888

Chemical ID:

3873888

Name [?]:

N-(4,5-dimethylthiazol-2-yl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

SMILES [?]:

Cc1c(sc(n1)NC(=O)CSc2nnc(n2C)c3ccccc3)C

InChi [?]:

InChI=1/C16H17N5OS2/c1-10-11(2)24-15(17-10)18-13(22)9-23-16-20-19-14(21(16)3)12-7-5-4-6-8-12/h4-8H,9H2,1-3H3,(H,17,18,22)

InChi Info:

AuxInfo=1/1/N:1,24,17,21,20,22,19,23,10,2,3,18,8,15,5,12,6,7,14,13,16,9,11,4/E:(5,6)(7,8)/rA:24nCCCSCNNCOCSCNNCNCCCCCCCC/rB:s1;d2;s3;s4;s2d5;s5;s7;d8;s8;s10;s11;d12;s13;d14;s12s15;s16;s15;s18;d19;s20;d21;d18s22;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₁₇N₅OS₂
All Atoms:	24
Heavy Atoms:	24
Chiral Atoms:	0

ZAP Information [?]

Total:	10.7818
Area:	575.852
Solvation:	-3.6145
Coulombic:	-37.7143

Bond Count [?]

All:	26
Single:	18
Double:	8
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	359.471
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	3.5
LogP (Chemaxon):	2.72

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value