Chemical ID: 3987904

CCC(c1nc(cs1)C(=O)NCCC2=CCCCC2)N
Chemical ID:
3987904
Name [?]:
2-(1-aminopropyl)-N-[2-(1-cyclohexenyl)ethyl]thiazole-4-carboxamide
SMILES [?]:
CCC(c1nc(cs1)C(=O)NCCC2=CCCCC2)N
InChi [?]:
InChI=1/C15H23N3OS/c1-2-12(16)15-18-13(10-20-15)14(19)17-9-8-11-6-4-3-5-7-11/h6,10,12H,2-5,7-9,16H2,1H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,2,17,16,18,15,19,13,12,7,14,3,6,9,4,20,11,5,10,8/rA:20cCCCCNCCSCONCCCCCCCCN/rB:s1;s2;s3;d4;s5;d6;s4s7;s6;d9;s9;s11;s12;s13;d14;s15;s16;s17;s14s18;s3;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H23N3OS
All Atoms:20
Heavy Atoms:20
Chiral Atoms:1
ZAP Information [?]
Total:11.5208
Area:523.311
Solvation:-1.56195
Coulombic:-42.5668
Bond Count [?]
All:21
Single:17
Double:4
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:293.429
H-Bond Donors:3
H-Bond Acceptors:3
XLogP:2.12
LogP (Chemaxon):1.86

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