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Chemical ID: 6266969

Chemical ID:

6266969

Name [?]:

N-[4-(4-methoxyphenyl)-5-methyl-thiazol-2-yl]cyclopropanecarboxamide

SMILES [?]:

Cc1c(nc(s1)NC(=O)C2CC2)c3ccc(cc3)OC

InChi [?]:

InChI=1/C15H16N2O2S/c1-9-13(10-5-7-12(19-2)8-6-10)16-15(20-9)17-14(18)11-3-4-11/h5-8,11H,3-4H2,1-2H3,(H,16,17,18)

InChi Info:

AuxInfo=1/1/N:1,20,11,12,14,18,15,17,2,13,10,16,3,8,5,4,7,9,19,6/E:(3,4)(5,6)(7,8)/rA:20nCCCNCSNCOCCCCCCCCCOC/rB:s1;d2;s3;d4;s2s5;s5;s7;d8;s8;s10;s10s11;s3;s13;d14;s15;d16;d13s17;s16;s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₁₆N₂O₂S
All Atoms:	20
Heavy Atoms:	20
Chiral Atoms:	0

ZAP Information [?]

Total:	8.63495
Area:	487.91
Solvation:	-3.56281
Coulombic:	-33.506

Bond Count [?]

All:	22
Single:	16
Double:	6
Rotors:	5
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	288.366
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	2.08
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