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Chemical ID: 5636575

Chemical ID:

5636575

Name [?]:

N-[3-(2-methylthiazol-4-yl)phenyl]acetamide

SMILES [?]:

Cc1nc(cs1)c2cccc(c2)NC(=O)C

InChi [?]:

InChI=1/C12H12N2OS/c1-8(15)13-11-5-3-4-10(6-11)12-7-16-9(2)14-12/h3-7H,1-2H3,(H,13,15)

InChi Info:

AuxInfo=1/1/N:16,1,9,8,10,12,5,14,2,7,11,4,13,3,15,6/rA:16nCCNCCSCCCCCCNCOC/rB:s1;d2;s3;d4;s2s5;s4;s7;d8;s9;d10;d7s11;s11;s13;d14;s14;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₂H₁₂N₂OS
All Atoms:	16
Heavy Atoms:	16
Chiral Atoms:	0

ZAP Information [?]

Total:	7.74698
Area:	416.425
Solvation:	-2.66365
Coulombic:	-24.4365

Bond Count [?]

All:	17
Single:	11
Double:	6
Rotors:	3
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	232.303
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	1.97
LogP (Chemaxon):	2.09

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value