(5-chlorothiophen-2-yl)sulfamoyl 1,3-thiazole-4-carboxylate

C8H5ClN2O4S3 — CID 174962332

IUPAC(5-chlorothiophen-2-yl)sulfamoyl 1,3-thiazole-4-carboxylate
SMILESO=C(OS(=O)(=O)Nc1ccc(Cl)s1)c1cscn1
InChIInChI=1S/C8H5ClN2O4S3/c9-6-1-2-7(17-6)11-18(13,14)15-8(12)5-3-16-4-10-5/h1-4,11H
InChIKeyATFIVJJGYNTHGI-UHFFFAOYSA-N
MW324.79 g/mol
LogP2.37
Rot. Bonds4

About (5-chlorothiophen-2-yl)sulfamoyl 1,3-thiazole-4-carboxylate

(5-chlorothiophen-2-yl)sulfamoyl 1,3-thiazole-4-carboxylate (PubChem CID 174962332) has the molecular formula C8H5ClN2O4S3 and a molecular weight of 324.79 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)sulfamoyl 1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)sulfamoyl 1,3-thiazole-4-carboxylate
PubChem CID174962332
Molecular FormulaC8H5ClN2O4S3
Molecular Weight324.79 g/mol
Exact Mass323.91
IUPAC Name(5-chlorothiophen-2-yl)sulfamoyl 1,3-thiazole-4-carboxylate
SMILESO=C(OS(=O)(=O)Nc1ccc(Cl)s1)c1cscn1
InChIInChI=1S/C8H5ClN2O4S3/c9-6-1-2-7(17-6)11-18(13,14)15-8(12)5-3-16-4-10-5/h1-4,11H
InChIKeyATFIVJJGYNTHGI-UHFFFAOYSA-N
XLogP2.37
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.79
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)sulfamoyl 1,3-thiazole-4-carboxylate?
The IUPAC name of (5-chlorothiophen-2-yl)sulfamoyl 1,3-thiazole-4-carboxylate (CID 174962332) is (5-chlorothiophen-2-yl)sulfamoyl 1,3-thiazole-4-carboxylate.
What is the SMILES notation for (5-chlorothiophen-2-yl)sulfamoyl 1,3-thiazole-4-carboxylate?
The canonical SMILES for (5-chlorothiophen-2-yl)sulfamoyl 1,3-thiazole-4-carboxylate is O=C(OS(=O)(=O)Nc1ccc(Cl)s1)c1cscn1.
What is the InChIKey of (5-chlorothiophen-2-yl)sulfamoyl 1,3-thiazole-4-carboxylate?
The InChIKey is ATFIVJJGYNTHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClN2O4S3/c9-6-1-2-7(17-6)11-18(13,14)15-8(12)5-3-16-4-10-5/h1-4,11H.
What are the key properties of (5-chlorothiophen-2-yl)sulfamoyl 1,3-thiazole-4-carboxylate?
(5-chlorothiophen-2-yl)sulfamoyl 1,3-thiazole-4-carboxylate has a molecular weight of 324.79 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiophen-2-yl)sulfamoyl 1,3-thiazole-4-carboxylate is sourced from PubChem (CID 174962332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).