2-(1,3-oxazol-2-yl)-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide

C12H11N3O2S — CID 140503385

IUPAC2-(1,3-oxazol-2-yl)-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
SMILESNC(=O)c1ccc2c(c1)NCC(c1ncco1)S2
InChIInChI=1S/C12H11N3O2S/c13-11(16)7-1-2-9-8(5-7)15-6-10(18-9)12-14-3-4-17-12/h1-5,10,15H,6H2,(H2,13,16)
InChIKeyANBUKPNPBUCBEA-UHFFFAOYSA-N
MW261.31 g/mol
LogP2.03
Rot. Bonds2

About 2-(1,3-oxazol-2-yl)-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide

2-(1,3-oxazol-2-yl)-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide (PubChem CID 140503385) has the molecular formula C12H11N3O2S and a molecular weight of 261.31 g/mol. Its IUPAC name is 2-(1,3-oxazol-2-yl)-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide.

Molecular Properties

Compound Name2-(1,3-oxazol-2-yl)-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
PubChem CID140503385
Molecular FormulaC12H11N3O2S
Molecular Weight261.31 g/mol
Exact Mass261.06
IUPAC Name2-(1,3-oxazol-2-yl)-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
SMILESNC(=O)c1ccc2c(c1)NCC(c1ncco1)S2
InChIInChI=1S/C12H11N3O2S/c13-11(16)7-1-2-9-8(5-7)15-6-10(18-9)12-14-3-4-17-12/h1-5,10,15H,6H2,(H2,13,16)
InChIKeyANBUKPNPBUCBEA-UHFFFAOYSA-N
XLogP2.03
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(1,3-oxazol-2-yl)-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-fluoro-N-(1,3-oxazol-5-ylmethyl)-6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carboxamide
CID 118373215
7-fluoro-N-[2-(1,3-oxazol-5-yl)ethyl]-6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carboxamide
CID 118373218
10-fluoro-N-[2-(1,3-oxazol-5-yl)ethyl]-6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carboxamide
CID 118373230
10-fluoro-N-(1,3-oxazol-5-ylmethyl)-6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carboxamide
CID 118373329
2-fluoro-N-[2-(1,3-oxazol-5-yl)ethyl]-6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carboxamide
CID 118373331
8-fluoro-N-[2-(1,3-oxazol-5-yl)ethyl]-6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carboxamide
CID 118373406
9-fluoro-N-(1,3-oxazol-5-ylmethyl)-6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carboxamide
CID 118373501
2-fluoro-N-(1,3-oxazol-5-ylmethyl)-6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carboxamide
CID 118373510
8-fluoro-N-(1,3-oxazol-5-ylmethyl)-6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carboxamide
CID 118373535
9-fluoro-N-[2-(1,3-oxazol-5-yl)ethyl]-6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carboxamide
CID 118373600
10-fluoro-N-[2-(1,3-oxazol-5-yl)ethyl]-5,6-dihydrobenzo[b][1,4]benzothiazepine-3-carboxamide
CID 123705384
4-[(3,5-difluorophenyl)methyl]-2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-oxo-1,4-benzothiazine-6-carboxamide
CID 142502277

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-oxazol-2-yl)-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide?
The IUPAC name of 2-(1,3-oxazol-2-yl)-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide (CID 140503385) is 2-(1,3-oxazol-2-yl)-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide.
What is the SMILES notation for 2-(1,3-oxazol-2-yl)-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide?
The canonical SMILES for 2-(1,3-oxazol-2-yl)-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide is NC(=O)c1ccc2c(c1)NCC(c1ncco1)S2.
What is the InChIKey of 2-(1,3-oxazol-2-yl)-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide?
The InChIKey is ANBUKPNPBUCBEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2S/c13-11(16)7-1-2-9-8(5-7)15-6-10(18-9)12-14-3-4-17-12/h1-5,10,15H,6H2,(H2,13,16).
What are the key properties of 2-(1,3-oxazol-2-yl)-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide?
2-(1,3-oxazol-2-yl)-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide has a molecular weight of 261.31 g/mol, XLogP of 2.03, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-oxazol-2-yl)-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide is sourced from PubChem (CID 140503385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).