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

C21H18ClN3O2S2 — CID 42744185

IUPAC3-(2-chlorobenzoyl)-N-(pyridin-3-ylmethyl)-2-thiophen-2-yl-1,3-thiazolidine-4-carboxamide
SMILESO=C(NCc1cccnc1)C1CSC(c2cccs2)N1C(=O)c1ccccc1Cl
InChIInChI=1S/C21H18ClN3O2S2/c22-16-7-2-1-6-15(16)20(27)25-17(13-29-21(25)18-8-4-10-28-18)19(26)24-12-14-5-3-9-23-11-14/h1-11,17,21H,12-13H2,(H,24,26)
InChIKeyAROQCWJCXURDDL-UHFFFAOYSA-N
MW443.98 g/mol
LogP4.37
Rot. Bonds5

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

3-(2-chlorobenzoyl)-N-(pyridin-3-ylmethyl)-2-thiophen-2-yl-1,3-thiazolidine-4-carboxamide (PubChem CID 42744185) has the molecular formula C21H18ClN3O2S2 and a molecular weight of 443.98 g/mol. Its IUPAC name is 3-(2-chlorobenzoyl)-N-(pyridin-3-ylmethyl)-2-thiophen-2-yl-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name3-(2-chlorobenzoyl)-N-(pyridin-3-ylmethyl)-2-thiophen-2-yl-1,3-thiazolidine-4-carboxamide
PubChem CID42744185
Molecular FormulaC21H18ClN3O2S2
Molecular Weight443.98 g/mol
Exact Mass443.05
IUPAC Name3-(2-chlorobenzoyl)-N-(pyridin-3-ylmethyl)-2-thiophen-2-yl-1,3-thiazolidine-4-carboxamide
SMILESO=C(NCc1cccnc1)C1CSC(c2cccs2)N1C(=O)c1ccccc1Cl
InChIInChI=1S/C21H18ClN3O2S2/c22-16-7-2-1-6-15(16)20(27)25-17(13-29-21(25)18-8-4-10-28-18)19(26)24-12-14-5-3-9-23-11-14/h1-11,17,21H,12-13H2,(H,24,26)
InChIKeyAROQCWJCXURDDL-UHFFFAOYSA-N
XLogP4.37
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.98
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,4S)-N-butyl-3-(2-chlorobenzoyl)-2-thiophen-2-yl-1,3-thiazolidine-4-carboxamide
CID 7498305
N-benzyl-3-(2-chlorobenzoyl)-2-(3-fluorophenyl)-1,3-thiazolidine-4-carboxamide
CID 42748496
2-chloro-N-(pyridin-3-ylmethyl)benzamide
CID 669068
3-(2-chlorobenzoyl)-N-[(4-fluorophenyl)methyl]-2-(furan-3-yl)-1,3-thiazolidine-4-carboxamide
CID 42745200
2-(4-tert-butylphenyl)-3-(2-chlorobenzoyl)-N-(pyridin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide
CID 42744230
(2R,4R)-3-(4-chlorobenzoyl)-N-propyl-2-thiophen-2-yl-1,3-thiazolidine-4-carboxamide
CID 7225664
2-(3-fluorophenyl)-3-propanoyl-N-(pyridin-3-ylmethyl)-1,3-thiazolidine-4-carboxamide
CID 42748564
(2R,4S)-N-butyl-3-(2-chlorobenzoyl)-2-(3-fluorophenyl)-1,3-thiazolidine-4-carboxamide
CID 7288424
1-N-benzyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109147891
3-(4-fluorobenzoyl)-2-(2-methylpropyl)-N-(pyridin-3-ylmethyl)-1,3-thiazolidine-4-carboxamide
CID 42745368
1-N-(2-chlorophenyl)-2-N-(pyridin-3-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109137091
3-(4-methoxybenzoyl)-2-(2-methylpropyl)-N-(pyridin-3-ylmethyl)-1,3-thiazolidine-4-carboxamide
CID 42748213

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorobenzoyl)-N-(pyridin-3-ylmethyl)-2-thiophen-2-yl-1,3-thiazolidine-4-carboxamide?
The IUPAC name of 3-(2-chlorobenzoyl)-N-(pyridin-3-ylmethyl)-2-thiophen-2-yl-1,3-thiazolidine-4-carboxamide (CID 42744185) is 3-(2-chlorobenzoyl)-N-(pyridin-3-ylmethyl)-2-thiophen-2-yl-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for 3-(2-chlorobenzoyl)-N-(pyridin-3-ylmethyl)-2-thiophen-2-yl-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for 3-(2-chlorobenzoyl)-N-(pyridin-3-ylmethyl)-2-thiophen-2-yl-1,3-thiazolidine-4-carboxamide is O=C(NCc1cccnc1)C1CSC(c2cccs2)N1C(=O)c1ccccc1Cl.
What is the InChIKey of 3-(2-chlorobenzoyl)-N-(pyridin-3-ylmethyl)-2-thiophen-2-yl-1,3-thiazolidine-4-carboxamide?
The InChIKey is AROQCWJCXURDDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O2S2/c22-16-7-2-1-6-15(16)20(27)25-17(13-29-21(25)18-8-4-10-28-18)19(26)24-12-14-5-3-9-23-11-14/h1-11,17,21H,12-13H2,(H,24,26).
What are the key properties of 3-(2-chlorobenzoyl)-N-(pyridin-3-ylmethyl)-2-thiophen-2-yl-1,3-thiazolidine-4-carboxamide?
3-(2-chlorobenzoyl)-N-(pyridin-3-ylmethyl)-2-thiophen-2-yl-1,3-thiazolidine-4-carboxamide has a molecular weight of 443.98 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorobenzoyl)-N-(pyridin-3-ylmethyl)-2-thiophen-2-yl-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 42744185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).