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Chemical ID: 6266986

Chemical ID:

6266986

Name [?]:

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

SMILES [?]:

CCCC(=O)Nc1nc(c(s1)C)c2ccc(cc2)OC

InChi [?]:

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

InChi Info:

AuxInfo=1/1/N:1,12,20,2,3,14,18,15,17,10,13,16,4,9,7,6,8,5,19,11/E:(6,7)(8,9)/rA:20nCCCCONCNCCSCCCCCCCOC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;s7s10;s10;s9;s13;d14;s15;d16;d13s17;s16;s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

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

ZAP Information [?]

Total:	8.90674
Area:	497.698
Solvation:	-3.53572
Coulombic:	-33.6259

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:	2.7
LogP (Chemaxon):	3.48

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