ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7463238

Chemical ID:

7463238

Name [?]:

5-(4-methyl-3-phenyl-thiazol-2-ylidene)amino-1H-imidazole-4-carboxamide

SMILES [?]:

Cc1csc(=Nc2c(nc[nH]2)C(=O)N)n1c3ccccc3

InChi [?]:

InChI=1/C14H13N5OS/c1-9-7-21-14(19(9)10-5-3-2-4-6-10)18-13-11(12(15)20)16-8-17-13/h2-8H,1H3,(H2,15,20)(H,16,17)

InChi Info:

AuxInfo=1/1/N:1,19,18,20,17,21,3,10,2,16,8,12,7,5,14,9,11,6,15,13,4/E:(3,4)(5,6)/rA:21nCCCSCNCCNCNCONNCCCCCC/rB:s1;d2;s3;s4;w5;s6;d7;s8;d9;s7s10;s8;d12;s12;s2s5;s15;s16;d17;s18;d19;d16s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₁₃N₅OS
All Atoms:	34
Heavy Atoms:	21
Chiral Atoms:	None

ZAP Information [?]

Total:	8.88476
Area:	458.97
Solvation:	-2.58948
Coulombic:	-56.0771

Bond Count [?]

All:	23
Single:	15
Double:	8
Rotors:	3
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	1.93
LogP (Chemaxon):	None

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