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Chemical ID: 3987904
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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