3-oxo-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-4H-1,4-benzothiazine-6-carboxamide

C16H12N4O2S2 — CID 60551671

IUPAC3-oxo-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-4H-1,4-benzothiazine-6-carboxamide
SMILESO=C1CSc2ccc(C(=O)Nc3cc(-c4cccs4)[nH]n3)cc2N1
InChIInChI=1S/C16H12N4O2S2/c21-15-8-24-13-4-3-9(6-10(13)17-15)16(22)18-14-7-11(19-20-14)12-2-1-5-23-12/h1-7H,8H2,(H,17,21)(H2,18,19,20,22)
InChIKeyMTVSRTIRWPYRMW-UHFFFAOYSA-N
MW356.43 g/mol
LogP3.43
Rot. Bonds3

About 3-oxo-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-4H-1,4-benzothiazine-6-carboxamide

3-oxo-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-4H-1,4-benzothiazine-6-carboxamide (PubChem CID 60551671) has the molecular formula C16H12N4O2S2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 3-oxo-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-4H-1,4-benzothiazine-6-carboxamide.

Molecular Properties

Compound Name3-oxo-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-4H-1,4-benzothiazine-6-carboxamide
PubChem CID60551671
Molecular FormulaC16H12N4O2S2
Molecular Weight356.43 g/mol
Exact Mass356.04
IUPAC Name3-oxo-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-4H-1,4-benzothiazine-6-carboxamide
SMILESO=C1CSc2ccc(C(=O)Nc3cc(-c4cccs4)[nH]n3)cc2N1
InChIInChI=1S/C16H12N4O2S2/c21-15-8-24-13-4-3-9(6-10(13)17-15)16(22)18-14-7-11(19-20-14)12-2-1-5-23-12/h1-7H,8H2,(H,17,21)(H2,18,19,20,22)
InChIKeyMTVSRTIRWPYRMW-UHFFFAOYSA-N
XLogP3.43
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-oxo-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-4H-1,4-benzothiazine-6-carboxamide?
The IUPAC name of 3-oxo-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-4H-1,4-benzothiazine-6-carboxamide (CID 60551671) is 3-oxo-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-4H-1,4-benzothiazine-6-carboxamide.
What is the SMILES notation for 3-oxo-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-4H-1,4-benzothiazine-6-carboxamide?
The canonical SMILES for 3-oxo-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-4H-1,4-benzothiazine-6-carboxamide is O=C1CSc2ccc(C(=O)Nc3cc(-c4cccs4)[nH]n3)cc2N1.
What is the InChIKey of 3-oxo-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-4H-1,4-benzothiazine-6-carboxamide?
The InChIKey is MTVSRTIRWPYRMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O2S2/c21-15-8-24-13-4-3-9(6-10(13)17-15)16(22)18-14-7-11(19-20-14)12-2-1-5-23-12/h1-7H,8H2,(H,17,21)(H2,18,19,20,22).
What are the key properties of 3-oxo-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-4H-1,4-benzothiazine-6-carboxamide?
3-oxo-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-4H-1,4-benzothiazine-6-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 3.43, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-4H-1,4-benzothiazine-6-carboxamide is sourced from PubChem (CID 60551671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).