4-chloro-N-[(2R)-4-oxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl]benzamide

C14H11ClN2O2S2 — CID 682122

IUPAC4-chloro-N-[(2R)-4-oxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl]benzamide
SMILESO=C(NN1C(=O)CS[C@@H]1c1cccs1)c1ccc(Cl)cc1
InChIInChI=1S/C14H11ClN2O2S2/c15-10-5-3-9(4-6-10)13(19)16-17-12(18)8-21-14(17)11-2-1-7-20-11/h1-7,14H,8H2,(H,16,19)/t14-/m1/s1
InChIKeyCCDRPVKVKCHSBQ-CQSZACIVSA-N
MW338.84 g/mol
LogP3.32
Rot. Bonds3

About 4-chloro-N-[(2R)-4-oxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl]benzamide

4-chloro-N-[(2R)-4-oxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl]benzamide (PubChem CID 682122) has the molecular formula C14H11ClN2O2S2 and a molecular weight of 338.84 g/mol. Its IUPAC name is 4-chloro-N-[(2R)-4-oxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(2R)-4-oxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl]benzamide
PubChem CID682122
Molecular FormulaC14H11ClN2O2S2
Molecular Weight338.84 g/mol
Exact Mass338.00
IUPAC Name4-chloro-N-[(2R)-4-oxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl]benzamide
SMILESO=C(NN1C(=O)CS[C@@H]1c1cccs1)c1ccc(Cl)cc1
InChIInChI=1S/C14H11ClN2O2S2/c15-10-5-3-9(4-6-10)13(19)16-17-12(18)8-21-14(17)11-2-1-7-20-11/h1-7,14H,8H2,(H,16,19)/t14-/m1/s1
InChIKeyCCDRPVKVKCHSBQ-CQSZACIVSA-N
XLogP3.32
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3-dioxoisoindol-2-yl)-N-(4-oxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl)acetamide
CID 56930780
N-[2-[[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]amino]-2-oxoethyl]pyridine-4-carboxamide
CID 53494524
1,3-bis[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]thiourea
CID 14145607
N-ethyl-2-(4-oxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl)acetamide
CID 42815196
3-(2-hydroxyethyl)-2-thiophen-2-yl-1,3-thiazolidin-4-one
CID 3447830
methyl 3-(4-oxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl)propanoate
CID 3873645
(2S)-3-[3-[(2S)-4-oxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl]propyl]-2-thiophen-2-yl-1,3-thiazolidin-4-one
CID 10093008
N-[2-(1H-indol-3-yl)-4-oxo-1,3-thiazolidin-3-yl]-4-methoxybenzamide
CID 3808537
(2R,4R)-3-(4-chlorobenzoyl)-N-propyl-2-thiophen-2-yl-1,3-thiazolidine-4-carboxamide
CID 7225664
N-[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-phenothiazin-10-ylacetamide
CID 10671957
N-[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(1,2,4-triazol-1-yl)acetamide
CID 11024209
3-(2-fluorophenyl)-2-thiophen-2-yl-1,3-thiazolidin-4-one
CID 4054922

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2R)-4-oxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl]benzamide?
The IUPAC name of 4-chloro-N-[(2R)-4-oxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl]benzamide (CID 682122) is 4-chloro-N-[(2R)-4-oxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[(2R)-4-oxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl]benzamide?
The canonical SMILES for 4-chloro-N-[(2R)-4-oxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl]benzamide is O=C(NN1C(=O)CS[C@@H]1c1cccs1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(2R)-4-oxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl]benzamide?
The InChIKey is CCDRPVKVKCHSBQ-CQSZACIVSA-N. The full InChI is InChI=1S/C14H11ClN2O2S2/c15-10-5-3-9(4-6-10)13(19)16-17-12(18)8-21-14(17)11-2-1-7-20-11/h1-7,14H,8H2,(H,16,19)/t14-/m1/s1.
What are the key properties of 4-chloro-N-[(2R)-4-oxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl]benzamide?
4-chloro-N-[(2R)-4-oxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl]benzamide has a molecular weight of 338.84 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2R)-4-oxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl]benzamide is sourced from PubChem (CID 682122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).