3-(4-chlorobenzoyl)-N-(pyridin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide

C17H16ClN3O2S — CID 42744790

IUPAC3-(4-chlorobenzoyl)-N-(pyridin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide
SMILESO=C(NCc1ccccn1)C1CSCN1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H16ClN3O2S/c18-13-6-4-12(5-7-13)17(23)21-11-24-10-15(21)16(22)20-9-14-3-1-2-8-19-14/h1-8,15H,9-11H2,(H,20,22)
InChIKeyXSRDHVQZKVBQGY-UHFFFAOYSA-N
MW361.85 g/mol
LogP2.57
Rot. Bonds4

About 3-(4-chlorobenzoyl)-N-(pyridin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide

3-(4-chlorobenzoyl)-N-(pyridin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 42744790) has the molecular formula C17H16ClN3O2S and a molecular weight of 361.85 g/mol. Its IUPAC name is 3-(4-chlorobenzoyl)-N-(pyridin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name3-(4-chlorobenzoyl)-N-(pyridin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide
PubChem CID42744790
Molecular FormulaC17H16ClN3O2S
Molecular Weight361.85 g/mol
Exact Mass361.07
IUPAC Name3-(4-chlorobenzoyl)-N-(pyridin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide
SMILESO=C(NCc1ccccn1)C1CSCN1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H16ClN3O2S/c18-13-6-4-12(5-7-13)17(23)21-11-24-10-15(21)16(22)20-9-14-3-1-2-8-19-14/h1-8,15H,9-11H2,(H,20,22)
InChIKeyXSRDHVQZKVBQGY-UHFFFAOYSA-N
XLogP2.57
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.85
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methylbenzoyl)-N-(pyridin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide
CID 42745306
1-(4-chlorobenzoyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 3472038
methyl 2-[[(4R)-3-(4-chlorobenzoyl)-1,3-thiazolidine-4-carbonyl]amino]acetate
CID 95297675
N-(3-aminopropyl)-3-(4-chlorobenzoyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119407342
N-(2-amino-2-ethylbutyl)-3-(4-chlorobenzoyl)-1,3-thiazolidine-4-carboxamide
CID 119642205
3-(2-methylpropanoyl)-N-(2-pyridin-2-ylethyl)-1,3-thiazolidine-4-carboxamide
CID 42744624
(4S)-3-benzoyl-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 46390015
3-benzoyl-N-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 4543944
3-benzoyl-N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 55608747
tert-butyl (4R)-4-(2-pyridin-2-ylethylcarbamoyl)-1,3-thiazolidine-3-carboxylate
CID 94821463
(4S)-3-benzoyl-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-1,3-thiazolidine-4-carboxamide
CID 51943870
(4S)-3-(4-methylbenzoyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide
CID 20973637

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorobenzoyl)-N-(pyridin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of 3-(4-chlorobenzoyl)-N-(pyridin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide (CID 42744790) is 3-(4-chlorobenzoyl)-N-(pyridin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for 3-(4-chlorobenzoyl)-N-(pyridin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for 3-(4-chlorobenzoyl)-N-(pyridin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide is O=C(NCc1ccccn1)C1CSCN1C(=O)c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorobenzoyl)-N-(pyridin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is XSRDHVQZKVBQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O2S/c18-13-6-4-12(5-7-13)17(23)21-11-24-10-15(21)16(22)20-9-14-3-1-2-8-19-14/h1-8,15H,9-11H2,(H,20,22).
What are the key properties of 3-(4-chlorobenzoyl)-N-(pyridin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide?
3-(4-chlorobenzoyl)-N-(pyridin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 361.85 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorobenzoyl)-N-(pyridin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 42744790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).