Chemical ID: 5940703

CCCNC(=O)c1csc(n1)CN(CCC)C(=O)C
Chemical ID:
5940703
Name [?]:
2-[(acetyl-propyl-amino)methyl]-N-propyl-thiazole-4-carboxamide
SMILES [?]:
CCCNC(=O)c1csc(n1)CN(CCC)C(=O)C
InChi [?]:
InChI=1/C13H21N3O2S/c1-4-6-14-13(18)11-9-19-12(15-11)8-16(7-5-2)10(3)17/h9H,4-8H2,1-3H3,(H,14,18)
InChi Info:
AuxInfo=1/1/N:1,16,19,2,15,3,14,12,8,17,7,10,5,4,11,13,18,6,9/rA:19nCCCNCOCCSCNCNCCCCOC/rB:s1;s2;s3;s4;d5;s5;d7;s8;s9;s7d10;s10;s12;s13;s14;s15;s13;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H21N3O2S
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.99499
Area:510.907
Solvation:-2.77769
Coulombic:-43.8786
Bond Count [?]
All:19
Single:15
Double:4
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:283.391
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.06
LogP (Chemaxon):0.77

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