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

C17H12N4O2S2 — CID 35565242

IUPAC3-oxo-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-4H-1,4-benzothiazine-6-carboxamide
SMILESO=C1CSc2ccc(C(=O)Nc3nnc(-c4ccccc4)s3)cc2N1
InChIInChI=1S/C17H12N4O2S2/c22-14-9-24-13-7-6-11(8-12(13)18-14)15(23)19-17-21-20-16(25-17)10-4-2-1-3-5-10/h1-8H,9H2,(H,18,22)(H,19,21,23)
InChIKeyKQUVIMAZNYKQTK-UHFFFAOYSA-N
MW368.44 g/mol
LogP3.50
Rot. Bonds3

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

3-oxo-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-4H-1,4-benzothiazine-6-carboxamide (PubChem CID 35565242) has the molecular formula C17H12N4O2S2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 3-oxo-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-4H-1,4-benzothiazine-6-carboxamide.

Molecular Properties

Compound Name3-oxo-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-4H-1,4-benzothiazine-6-carboxamide
PubChem CID35565242
Molecular FormulaC17H12N4O2S2
Molecular Weight368.44 g/mol
Exact Mass368.04
IUPAC Name3-oxo-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-4H-1,4-benzothiazine-6-carboxamide
SMILESO=C1CSc2ccc(C(=O)Nc3nnc(-c4ccccc4)s3)cc2N1
InChIInChI=1S/C17H12N4O2S2/c22-14-9-24-13-7-6-11(8-12(13)18-14)15(23)19-17-21-20-16(25-17)10-4-2-1-3-5-10/h1-8H,9H2,(H,18,22)(H,19,21,23)
InChIKeyKQUVIMAZNYKQTK-UHFFFAOYSA-N
XLogP3.50
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-oxo-N-phenyl-4H-1,4-benzothiazine-6-carboxamide
CID 24643274
6-benzoyl-4H-1,4-benzothiazin-3-one
CID 11958353
3-oxo-N-pyridin-3-yl-4H-1,4-benzothiazine-6-carboxamide
CID 26592395
3-oxo-N-(3-phenoxyphenyl)-4H-1,4-benzothiazine-6-carboxamide
CID 55344492
N-(6-ethyl-1,3-benzothiazol-2-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 35996022
N-(6-acetamido-1,3-benzothiazol-2-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 43043166
3,4-difluoro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 27991331
3-oxo-N-(3-phenylpropyl)-4H-1,4-benzothiazine-6-carboxamide
CID 17394149
N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 37263770
N-[2-(difluoromethoxy)phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 51145660
1-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-phenylurea
CID 31772262
N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 55341188

Frequently Asked Questions

What is the IUPAC name of 3-oxo-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-4H-1,4-benzothiazine-6-carboxamide?
The IUPAC name of 3-oxo-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-4H-1,4-benzothiazine-6-carboxamide (CID 35565242) is 3-oxo-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-4H-1,4-benzothiazine-6-carboxamide.
What is the SMILES notation for 3-oxo-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-4H-1,4-benzothiazine-6-carboxamide?
The canonical SMILES for 3-oxo-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-4H-1,4-benzothiazine-6-carboxamide is O=C1CSc2ccc(C(=O)Nc3nnc(-c4ccccc4)s3)cc2N1.
What is the InChIKey of 3-oxo-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-4H-1,4-benzothiazine-6-carboxamide?
The InChIKey is KQUVIMAZNYKQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O2S2/c22-14-9-24-13-7-6-11(8-12(13)18-14)15(23)19-17-21-20-16(25-17)10-4-2-1-3-5-10/h1-8H,9H2,(H,18,22)(H,19,21,23).
What are the key properties of 3-oxo-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-4H-1,4-benzothiazine-6-carboxamide?
3-oxo-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-4H-1,4-benzothiazine-6-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 3.50, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-4H-1,4-benzothiazine-6-carboxamide is sourced from PubChem (CID 35565242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).