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Chemical ID: 6217409

Chemical ID:

6217409

Name [?]:

N-[4-(4-methoxyphenyl)thiazol-2-yl]cyclopropanecarboxamide

SMILES [?]:

COc1ccc(cc1)c2csc(n2)NC(=O)C3CC3

InChi [?]:

InChI=1/C14H14N2O2S/c1-18-11-6-4-9(5-7-11)12-8-19-14(15-12)16-13(17)10-2-3-10/h4-8,10H,2-3H2,1H3,(H,15,16,17)

InChi Info:

AuxInfo=1/1/N:1,18,19,5,7,4,8,10,6,17,3,9,15,12,13,14,16,2,11/E:(2,3)(4,5)(6,7)/rA:19nCOCCCCCCCCSCNNCOCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s10;s11;s9d12;s12;s14;d15;s15;s17;s17s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₁₄N₂O₂S
All Atoms:	19
Heavy Atoms:	19
Chiral Atoms:	0

ZAP Information [?]

Total:	8.16342
Area:	470.537
Solvation:	-3.60001
Coulombic:	-33.3631

Bond Count [?]

All:	21
Single:	15
Double:	6
Rotors:	5
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	274.339
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	2.23
LogP (Chemaxon):	3.15

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value