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Chemical ID: 3862130

Chemical ID:

3862130

Name [?]:

N-ethyl-N-(4-phenylthiazol-2-yl)-cyclopropanecarboxamide

SMILES [?]:

CCN(c1nc(cs1)c2ccccc2)C(=O)C3CC3

InChi [?]:

InChI=1/C15H16N2OS/c1-2-17(14(18)12-8-9-12)15-16-13(10-19-15)11-6-4-3-5-7-11/h3-7,10,12H,2,8-9H2,1H3

InChi Info:

AuxInfo=1/0/N:1,2,12,11,13,10,14,18,19,7,9,17,6,15,4,5,3,16,8/E:(4,5)(6,7)(8,9)/rA:19nCCNCNCCSCCCCCCCOCCC/rB:s1;s2;s3;d4;s5;d6;s4s7;s6;s9;d10;s11;d12;d9s13;s3;d15;s15;s17;s17s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₁₆N₂OS
All Atoms:	19
Heavy Atoms:	19
Chiral Atoms:	0

ZAP Information [?]

Total:	9.36438
Area:	465.295
Solvation:	-2.26801
Coulombic:	-23.4204

Bond Count [?]

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

Chemical Properties

Molecular Weight:	272.366
H-Bond Donors:	0
H-Bond Acceptors:	2
XLogP:	2.88
LogP (Chemaxon):	3.51

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