6-[2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one

C16H12N2O2S2 — CID 35618455

IUPAC6-[2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one
SMILESCc1ccsc1-c1nc(-c2ccc3c(c2)NC(=O)CO3)cs1
InChIInChI=1S/C16H12N2O2S2/c1-9-4-5-21-15(9)16-18-12(8-22-16)10-2-3-13-11(6-10)17-14(19)7-20-13/h2-6,8H,7H2,1H3,(H,17,19)
InChIKeyJELOLUZSEHVBLI-UHFFFAOYSA-N
MW328.42 g/mol
LogP4.18
Rot. Bonds2

About 6-[2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one

6-[2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one (PubChem CID 35618455) has the molecular formula C16H12N2O2S2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 6-[2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-[2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one
PubChem CID35618455
Molecular FormulaC16H12N2O2S2
Molecular Weight328.42 g/mol
Exact Mass328.03
IUPAC Name6-[2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one
SMILESCc1ccsc1-c1nc(-c2ccc3c(c2)NC(=O)CO3)cs1
InChIInChI=1S/C16H12N2O2S2/c1-9-4-5-21-15(9)16-18-12(8-22-16)10-2-3-13-11(6-10)17-14(19)7-20-13/h2-6,8H,7H2,1H3,(H,17,19)
InChIKeyJELOLUZSEHVBLI-UHFFFAOYSA-N
XLogP4.18
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[2-(3-methylthiophen-2-yl)-1,3-thiazol-4-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

6-(2-thiophen-2-yl-1,3-thiazol-4-yl)-4H-1,4-benzoxazin-3-one
CID 7529130
6-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one
CID 2455762
6-(2-amino-1,3-thiazol-4-yl)-4H-1,4-benzoxazin-3-one
CID 2061961
6-(2-chloro-1,3-thiazol-4-yl)-4H-1,4-benzoxazin-3-one
CID 116968112
6-[2-(hydroxymethyl)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one
CID 116867442
6-(2-cyclopropyl-1,3-thiazol-4-yl)-4H-1,4-benzoxazin-3-one
CID 35618773
6-[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one
CID 4800755
6-[2-(2-methylpropylamino)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one
CID 7529091
(2S)-2-methyl-N-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]butanamide
CID 1431353
(2R)-2-methyl-N-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]butanamide
CID 1431352
6-[2-(2-phenylethylamino)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one
CID 2468356
6-[2-[[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]amino]-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one
CID 22333269

Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one?
The IUPAC name of 6-[2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one (CID 35618455) is 6-[2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-[2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 6-[2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one is Cc1ccsc1-c1nc(-c2ccc3c(c2)NC(=O)CO3)cs1.
What is the InChIKey of 6-[2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one?
The InChIKey is JELOLUZSEHVBLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O2S2/c1-9-4-5-21-15(9)16-18-12(8-22-16)10-2-3-13-11(6-10)17-14(19)7-20-13/h2-6,8H,7H2,1H3,(H,17,19).
What are the key properties of 6-[2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one?
6-[2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one has a molecular weight of 328.42 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 35618455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).