2-(3-chlorophenyl)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyphenyl]-1,3-thiazole-4-carboxamide

C19H16ClN3O4S2 — CID 167841494

IUPAC2-(3-chlorophenyl)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyphenyl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cc(N2CCCS2(=O)=O)ccc1O)c1csc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C19H16ClN3O4S2/c20-13-4-1-3-12(9-13)19-22-16(11-28-19)18(25)21-15-10-14(5-6-17(15)24)23-7-2-8-29(23,26)27/h1,3-6,9-11,24H,2,7-8H2,(H,21,25)
InChIKeyRWGKPZRMXLASIA-UHFFFAOYSA-N
MW449.94 g/mol
LogP3.96
Rot. Bonds4

About 2-(3-chlorophenyl)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyphenyl]-1,3-thiazole-4-carboxamide

2-(3-chlorophenyl)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyphenyl]-1,3-thiazole-4-carboxamide (PubChem CID 167841494) has the molecular formula C19H16ClN3O4S2 and a molecular weight of 449.94 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyphenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyphenyl]-1,3-thiazole-4-carboxamide
PubChem CID167841494
Molecular FormulaC19H16ClN3O4S2
Molecular Weight449.94 g/mol
Exact Mass449.03
IUPAC Name2-(3-chlorophenyl)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyphenyl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cc(N2CCCS2(=O)=O)ccc1O)c1csc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C19H16ClN3O4S2/c20-13-4-1-3-12(9-13)19-22-16(11-28-19)18(25)21-15-10-14(5-6-17(15)24)23-7-2-8-29(23,26)27/h1,3-6,9-11,24H,2,7-8H2,(H,21,25)
InChIKeyRWGKPZRMXLASIA-UHFFFAOYSA-N
XLogP3.96
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.94
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyphenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(3-chlorophenyl)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyphenyl]-1,3-thiazole-4-carboxamide (CID 167841494) is 2-(3-chlorophenyl)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyphenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyphenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyphenyl]-1,3-thiazole-4-carboxamide is O=C(Nc1cc(N2CCCS2(=O)=O)ccc1O)c1csc(-c2cccc(Cl)c2)n1.
What is the InChIKey of 2-(3-chlorophenyl)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyphenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is RWGKPZRMXLASIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O4S2/c20-13-4-1-3-12(9-13)19-22-16(11-28-19)18(25)21-15-10-14(5-6-17(15)24)23-7-2-8-29(23,26)27/h1,3-6,9-11,24H,2,7-8H2,(H,21,25).
What are the key properties of 2-(3-chlorophenyl)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyphenyl]-1,3-thiazole-4-carboxamide?
2-(3-chlorophenyl)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyphenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 449.94 g/mol, XLogP of 3.96, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyphenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 167841494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).