1-oxo-N-(1,3-thiazol-2-yl)isochromene-3-carboxamide

C13H8N2O3S — CID 4903041

IUPAC1-oxo-N-(1,3-thiazol-2-yl)isochromene-3-carboxamide
SMILESO=C(Nc1nccs1)c1cc2ccccc2c(=O)o1
InChIInChI=1S/C13H8N2O3S/c16-11(15-13-14-5-6-19-13)10-7-8-3-1-2-4-9(8)12(17)18-10/h1-7H,(H,14,15,16)
InChIKeyMLOBTFIAKQTPKD-UHFFFAOYSA-N
MW272.29 g/mol
LogP2.50
Rot. Bonds2

About 1-oxo-N-(1,3-thiazol-2-yl)isochromene-3-carboxamide

1-oxo-N-(1,3-thiazol-2-yl)isochromene-3-carboxamide (PubChem CID 4903041) has the molecular formula C13H8N2O3S and a molecular weight of 272.29 g/mol. Its IUPAC name is 1-oxo-N-(1,3-thiazol-2-yl)isochromene-3-carboxamide.

Molecular Properties

Compound Name1-oxo-N-(1,3-thiazol-2-yl)isochromene-3-carboxamide
PubChem CID4903041
Molecular FormulaC13H8N2O3S
Molecular Weight272.29 g/mol
Exact Mass272.03
IUPAC Name1-oxo-N-(1,3-thiazol-2-yl)isochromene-3-carboxamide
SMILESO=C(Nc1nccs1)c1cc2ccccc2c(=O)o1
InChIInChI=1S/C13H8N2O3S/c16-11(15-13-14-5-6-19-13)10-7-8-3-1-2-4-9(8)12(17)18-10/h1-7H,(H,14,15,16)
InChIKeyMLOBTFIAKQTPKD-UHFFFAOYSA-N
XLogP2.50
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.29
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-oxo-N-(1,3-thiazol-2-yl)isochromene-3-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 1-oxo-N-(1,3-thiazol-2-yl)isochromene-3-carboxamide?
The IUPAC name of 1-oxo-N-(1,3-thiazol-2-yl)isochromene-3-carboxamide (CID 4903041) is 1-oxo-N-(1,3-thiazol-2-yl)isochromene-3-carboxamide.
What is the SMILES notation for 1-oxo-N-(1,3-thiazol-2-yl)isochromene-3-carboxamide?
The canonical SMILES for 1-oxo-N-(1,3-thiazol-2-yl)isochromene-3-carboxamide is O=C(Nc1nccs1)c1cc2ccccc2c(=O)o1.
What is the InChIKey of 1-oxo-N-(1,3-thiazol-2-yl)isochromene-3-carboxamide?
The InChIKey is MLOBTFIAKQTPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N2O3S/c16-11(15-13-14-5-6-19-13)10-7-8-3-1-2-4-9(8)12(17)18-10/h1-7H,(H,14,15,16).
What are the key properties of 1-oxo-N-(1,3-thiazol-2-yl)isochromene-3-carboxamide?
1-oxo-N-(1,3-thiazol-2-yl)isochromene-3-carboxamide has a molecular weight of 272.29 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxo-N-(1,3-thiazol-2-yl)isochromene-3-carboxamide is sourced from PubChem (CID 4903041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).