3-(cyclohexanecarbonyl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide

C22H27N3O2S2 — CID 75554394

IUPAC3-(cyclohexanecarbonyl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide
SMILESO=C(NCCc1csc(-c2ccccc2)n1)C1CSCN1C(=O)C1CCCCC1
InChIInChI=1S/C22H27N3O2S2/c26-20(19-14-28-15-25(19)22(27)17-9-5-2-6-10-17)23-12-11-18-13-29-21(24-18)16-7-3-1-4-8-16/h1,3-4,7-8,13,17,19H,2,5-6,9-12,14-15H2,(H,23,26)
InChIKeyWERIZBIXEKMTJL-UHFFFAOYSA-N
MW429.61 g/mol
LogP3.95
Rot. Bonds6

About 3-(cyclohexanecarbonyl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide

3-(cyclohexanecarbonyl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 75554394) has the molecular formula C22H27N3O2S2 and a molecular weight of 429.61 g/mol. Its IUPAC name is 3-(cyclohexanecarbonyl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name3-(cyclohexanecarbonyl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide
PubChem CID75554394
Molecular FormulaC22H27N3O2S2
Molecular Weight429.61 g/mol
Exact Mass429.15
IUPAC Name3-(cyclohexanecarbonyl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide
SMILESO=C(NCCc1csc(-c2ccccc2)n1)C1CSCN1C(=O)C1CCCCC1
InChIInChI=1S/C22H27N3O2S2/c26-20(19-14-28-15-25(19)22(27)17-9-5-2-6-10-17)23-12-11-18-13-29-21(24-18)16-7-3-1-4-8-16/h1,3-4,7-8,13,17,19H,2,5-6,9-12,14-15H2,(H,23,26)
InChIKeyWERIZBIXEKMTJL-UHFFFAOYSA-N
XLogP3.95
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.61
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexanecarbonyl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of 3-(cyclohexanecarbonyl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide (CID 75554394) is 3-(cyclohexanecarbonyl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for 3-(cyclohexanecarbonyl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for 3-(cyclohexanecarbonyl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide is O=C(NCCc1csc(-c2ccccc2)n1)C1CSCN1C(=O)C1CCCCC1.
What is the InChIKey of 3-(cyclohexanecarbonyl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is WERIZBIXEKMTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2S2/c26-20(19-14-28-15-25(19)22(27)17-9-5-2-6-10-17)23-12-11-18-13-29-21(24-18)16-7-3-1-4-8-16/h1,3-4,7-8,13,17,19H,2,5-6,9-12,14-15H2,(H,23,26).
What are the key properties of 3-(cyclohexanecarbonyl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide?
3-(cyclohexanecarbonyl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 429.61 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexanecarbonyl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 75554394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).