Chemical ID: 5647348

CCC(=O)Nc1nc(cs1)c2ccc(c(c2)C)C
Chemical ID:
5647348
Name [?]:
N-[4-(3,4-dimethylphenyl)thiazol-2-yl]propanamide
SMILES [?]:
CCC(=O)Nc1nc(cs1)c2ccc(c(c2)C)C
InChi [?]:
InChI=1/C14H16N2OS/c1-4-13(17)16-14-15-12(8-18-14)11-6-5-9(2)10(3)7-11/h5-8H,4H2,1-3H3,(H,15,16,17)
InChi Info:
AuxInfo=1/1/N:1,18,17,2,13,12,16,9,14,15,11,8,3,6,7,5,4,10/rA:18nCCCONCNCCSCCCCCCCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;s6s9;s8;s11;d12;s13;d14;d11s15;s15;s14;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H16N2OS
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:9.13425
Area:460.14
Solvation:-2.36924
Coulombic:-26.4091
Bond Count [?]
All:19
Single:13
Double:6
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:260.356
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.24
LogP (Chemaxon):4.28

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Descriptor Annotations

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