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Chemical ID: 3987884
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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