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Chemical ID: 6266864

Chemical ID:

6266864

Name [?]:

N-[4-(4-ethoxyphenyl)-5-methyl-thiazol-2-yl]propanamide

SMILES [?]:

CCC(=O)Nc1nc(c(s1)C)c2ccc(cc2)OCC

InChi [?]:

InChI=1/C15H18N2O2S/c1-4-13(18)16-15-17-14(10(3)20-15)11-6-8-12(9-7-11)19-5-2/h6-9H,4-5H2,1-3H3,(H,16,17,18)

InChi Info:

AuxInfo=1/1/N:1,20,11,2,19,13,17,14,16,9,12,15,3,8,6,5,7,4,18,10/E:(6,7)(8,9)/rA:20nCCCONCNCCSCCCCCCCOCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;s6s9;s9;s8;s12;d13;s14;d15;d12s16;s15;s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₁₈N₂O₂S
All Atoms:	20
Heavy Atoms:	20
Chiral Atoms:	0

ZAP Information [?]

Total:	8.9542
Area:	496.846
Solvation:	-3.46695
Coulombic:	-33.499

Bond Count [?]

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

Chemical Properties

Molecular Weight:	290.382
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	2.55
LogP (Chemaxon):	3.43

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