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

C12H11N3O2S — CID 91266719

IUPACN-(1,3-oxazol-2-yl)-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
SMILESO=C(Nc1ncco1)c1ccc2c(c1)NCCS2
InChIInChI=1S/C12H11N3O2S/c16-11(15-12-14-3-5-17-12)8-1-2-10-9(7-8)13-4-6-18-10/h1-3,5,7,13H,4,6H2,(H,14,15,16)
InChIKeyVOEJXMQJTCQVPX-UHFFFAOYSA-N
MW261.31 g/mol
LogP2.44
Rot. Bonds2

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

N-(1,3-oxazol-2-yl)-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide (PubChem CID 91266719) has the molecular formula C12H11N3O2S and a molecular weight of 261.31 g/mol. Its IUPAC name is N-(1,3-oxazol-2-yl)-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide.

Molecular Properties

Compound NameN-(1,3-oxazol-2-yl)-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
PubChem CID91266719
Molecular FormulaC12H11N3O2S
Molecular Weight261.31 g/mol
Exact Mass261.06
IUPAC NameN-(1,3-oxazol-2-yl)-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
SMILESO=C(Nc1ncco1)c1ccc2c(c1)NCCS2
InChIInChI=1S/C12H11N3O2S/c16-11(15-12-14-3-5-17-12)8-1-2-10-9(7-8)13-4-6-18-10/h1-3,5,7,13H,4,6H2,(H,14,15,16)
InChIKeyVOEJXMQJTCQVPX-UHFFFAOYSA-N
XLogP2.44
TPSA67.16 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 ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(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

Frequently Asked Questions

What is the IUPAC name of N-(1,3-oxazol-2-yl)-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide?
The IUPAC name of N-(1,3-oxazol-2-yl)-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide (CID 91266719) is N-(1,3-oxazol-2-yl)-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide.
What is the SMILES notation for N-(1,3-oxazol-2-yl)-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide?
The canonical SMILES for N-(1,3-oxazol-2-yl)-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide is O=C(Nc1ncco1)c1ccc2c(c1)NCCS2.
What is the InChIKey of N-(1,3-oxazol-2-yl)-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide?
The InChIKey is VOEJXMQJTCQVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2S/c16-11(15-12-14-3-5-17-12)8-1-2-10-9(7-8)13-4-6-18-10/h1-3,5,7,13H,4,6H2,(H,14,15,16).
What are the key properties of N-(1,3-oxazol-2-yl)-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide?
N-(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 2.44, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-oxazol-2-yl)-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide is sourced from PubChem (CID 91266719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).