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Chemical ID: 5770107

Chemical ID:

5770107

Name [?]:

N-[4-(2-anilinothiazol-4-yl)phenyl]propanamide

SMILES [?]:

CCC(=O)Nc1ccc(cc1)c2csc(n2)Nc3ccccc3

InChi [?]:

InChI=1/C18H17N3OS/c1-2-17(22)19-15-10-8-13(9-11-15)16-12-23-18(21-16)20-14-6-4-3-5-7-14/h3-12H,2H2,1H3,(H,19,22)(H,20,21)

InChi Info:

AuxInfo=1/1/N:1,2,21,20,22,19,23,8,10,7,11,13,9,18,6,12,3,15,5,17,16,4,14/E:(4,5)(6,7)(8,9)(10,11)/rA:23nCCCONCCCCCCCCSCNNCCCCCC/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s9;d12;s13;s14;s12d15;s15;s17;s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₁₇N₃OS
All Atoms:	23
Heavy Atoms:	23
Chiral Atoms:	0

ZAP Information [?]

Total:	10.5752
Area:	536.786
Solvation:	-2.84446
Coulombic:	-38.7945

Bond Count [?]

All:	25
Single:	16
Double:	9
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	323.413
H-Bond Donors:	2
H-Bond Acceptors:	3
XLogP:	3.58
LogP (Chemaxon):	4.6

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