2-methyl-6-(1,3-thiazol-2-yl)-4H-1,4-benzoxazin-3-one

C12H10N2O2S — CID 116868429

IUPAC2-methyl-6-(1,3-thiazol-2-yl)-4H-1,4-benzoxazin-3-one
SMILESCC1Oc2ccc(-c3nccs3)cc2NC1=O
InChIInChI=1S/C12H10N2O2S/c1-7-11(15)14-9-6-8(2-3-10(9)16-7)12-13-4-5-17-12/h2-7H,1H3,(H,14,15)
InChIKeySNSYZSCMWLHAAA-UHFFFAOYSA-N
MW246.29 g/mol
LogP2.53
Rot. Bonds1

About 2-methyl-6-(1,3-thiazol-2-yl)-4H-1,4-benzoxazin-3-one

2-methyl-6-(1,3-thiazol-2-yl)-4H-1,4-benzoxazin-3-one (PubChem CID 116868429) has the molecular formula C12H10N2O2S and a molecular weight of 246.29 g/mol. Its IUPAC name is 2-methyl-6-(1,3-thiazol-2-yl)-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name2-methyl-6-(1,3-thiazol-2-yl)-4H-1,4-benzoxazin-3-one
PubChem CID116868429
Molecular FormulaC12H10N2O2S
Molecular Weight246.29 g/mol
Exact Mass246.05
IUPAC Name2-methyl-6-(1,3-thiazol-2-yl)-4H-1,4-benzoxazin-3-one
SMILESCC1Oc2ccc(-c3nccs3)cc2NC1=O
InChIInChI=1S/C12H10N2O2S/c1-7-11(15)14-9-6-8(2-3-10(9)16-7)12-13-4-5-17-12/h2-7H,1H3,(H,14,15)
InChIKeySNSYZSCMWLHAAA-UHFFFAOYSA-N
XLogP2.53
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-6-(1,3-thiazol-2-yl)-4H-1,4-benzoxazin-3-one 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

2-methyl-6-(1,3-thiazol-2-ylmethylamino)-4H-1,4-benzoxazin-3-one
CID 55248527
2-methyl-6-(1,3-thiazol-4-yl)-4H-1,4-benzoxazin-3-one
CID 82354896
2-methyl-3-oxo-N-(1,3-thiazol-2-yl)-4H-1,4-benzoxazine-6-carboxamide
CID 110683129
2-ethyl-6-(1,3-thiazol-2-yl)-3,4-dihydro-2H-1,4-benzoxazine
CID 82059374
2-methyl-6-(3-methylphenyl)-4H-1,4-benzoxazin-3-one
CID 117001112
6-(2,5-diamino-1,3-thiazol-4-yl)-2-methyl-4H-1,4-benzoxazin-3-one
CID 82342189
2-methyl-6-[4-(trifluoromethyl)phenyl]-4H-1,4-benzoxazin-3-one
CID 141178570
N-[4-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-1,3-thiazol-2-yl]methanesulfonamide
CID 42227420
N-[4-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-1,3-thiazol-2-yl]methanesulfonamide
CID 42227421
6-(3-amino-1-methylpyrazol-5-yl)-2-methyl-4H-1,4-benzoxazin-3-one
CID 82483383
6-(2-amino-4,5-dimethylthiophen-3-yl)-2-methyl-4H-1,4-benzoxazin-3-one
CID 82366118
2-methyl-6-methylsulfanyl-4H-1,4-benzoxazin-3-one
CID 82355440

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(1,3-thiazol-2-yl)-4H-1,4-benzoxazin-3-one?
The IUPAC name of 2-methyl-6-(1,3-thiazol-2-yl)-4H-1,4-benzoxazin-3-one (CID 116868429) is 2-methyl-6-(1,3-thiazol-2-yl)-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 2-methyl-6-(1,3-thiazol-2-yl)-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 2-methyl-6-(1,3-thiazol-2-yl)-4H-1,4-benzoxazin-3-one is CC1Oc2ccc(-c3nccs3)cc2NC1=O.
What is the InChIKey of 2-methyl-6-(1,3-thiazol-2-yl)-4H-1,4-benzoxazin-3-one?
The InChIKey is SNSYZSCMWLHAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2S/c1-7-11(15)14-9-6-8(2-3-10(9)16-7)12-13-4-5-17-12/h2-7H,1H3,(H,14,15).
What are the key properties of 2-methyl-6-(1,3-thiazol-2-yl)-4H-1,4-benzoxazin-3-one?
2-methyl-6-(1,3-thiazol-2-yl)-4H-1,4-benzoxazin-3-one has a molecular weight of 246.29 g/mol, XLogP of 2.53, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(1,3-thiazol-2-yl)-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 116868429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).