Chemical ID: 6350633

Cc1c(nc(s1)NC(=O)CC(C)C)c2ccccc2
Chemical ID:
6350633
Name [?]:
3-methyl-N-(5-methyl-4-phenyl-thiazol-2-yl)-butanamide
SMILES [?]:
Cc1c(nc(s1)NC(=O)CC(C)C)c2ccccc2
InChi [?]:
InChI=1/C15H18N2OS/c1-10(2)9-13(18)16-15-17-14(11(3)19-15)12-7-5-4-6-8-12/h4-8,10H,9H2,1-3H3,(H,16,17,18)
InChi Info:
AuxInfo=1/1/N:12,13,1,17,16,18,15,19,10,11,2,14,8,3,5,7,4,9,6/E:(1,2)(5,6)(7,8)/rA:19nCCCNCSNCOCCCCCCCCCC/rB:s1;d2;s3;d4;s2s5;s5;s7;d8;s8;s10;s11;s11;s3;s14;d15;s16;d17;d14s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H18N2OS
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.75626
Area:476.822
Solvation:-2.16429
Coulombic:-27.8028
Bond Count [?]
All:20
Single:14
Double:6
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:274.382
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.29
LogP (Chemaxon):4.07

Name Annotations

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Descriptor Annotations

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