Chemical ID: 5940690

CCCNC(=O)c1csc(n1)CN(CCC)C(=O)CC
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

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Descriptor Annotations

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