Chemical ID: 3987884

CCC(c1nc(cs1)C(=O)NC2CCCC(C2C)C)N
Chemical ID:
3987884
Name [?]:
2-(1-aminopropyl)-N-(2,3-dimethylcyclohexyl)-thiazole-4-carboxamide
SMILES [?]:
CCC(c1nc(cs1)C(=O)NC2CCCC(C2C)C)N
InChi [?]:
InChI=1/C15H25N3OS/c1-4-11(16)15-18-13(8-20-15)14(19)17-12-7-5-6-9(2)10(12)3/h8-12H,4-7,16H2,1-3H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,19,18,2,14,15,13,7,16,17,3,12,6,9,4,20,11,5,10,8/rA:20cCCCCNCCSCONCCCCCCCCN/rB:s1;s2;s3;d4;s5;d6;s4s7;s6;d9;s9;s11;s12;s13;s14;s15;s12s16;s17;s16;s3;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H25N3OS
All Atoms:20
Heavy Atoms:20
Chiral Atoms:4
ZAP Information [?]
Total:11.1239
Area:504.027
Solvation:-1.47677
Coulombic:-42.5054
Bond Count [?]
All:21
Single:18
Double:3
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:295.445
H-Bond Donors:3
H-Bond Acceptors:3
XLogP:2.59
LogP (Chemaxon):2.4

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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