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Chemical ID: 5940690
Chemical ID:
5940690
Name [?]:
2-[(propanoyl-propyl-amino)methyl]-N-propyl-thiazole-4-carboxamide
SMILES [?]:
CCCNC(=O)c1csc(n1)CN(CCC)C(=O)CC
InChi [?]:
InChI=1/C14H23N3O2S/c1-4-7-15-14(19)11-10-20-12(16-11)9-17(8-5-2)13(18)6-3/h10H,4-9H2,1-3H3,(H,15,19)
InChi Info:
AuxInfo=1/1/N:1,16,20,2,15,19,3,14,12,8,7,10,17,5,4,11,13,18,6,9/rA:20nCCCNCOCCSCNCNCCCCOCC/rB:s1;s2;s3;s4;d5;s5;d7;s8;s9;s7d10;s10;s12;s13;s14;s15;s13;d17;s17;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H23N3O2S |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5702 |
Area: | 528.569 |
Solvation: | -2.64397 |
Coulombic: | -44.5521 |
Bond Count [?]
All: | 20 |
Single: | 16 |
Double: | 4 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 297.417 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.31 |
LogP (Chemaxon): | 1.4 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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