3-[2-(methylamino)-1,3-thiazole-5-carbonyl]chromen-2-one

C14H10N2O3S — CID 155542611

IUPAC3-[2-(methylamino)-1,3-thiazole-5-carbonyl]chromen-2-one
SMILESCNc1ncc(C(=O)c2cc3ccccc3oc2=O)s1
InChIInChI=1S/C14H10N2O3S/c1-15-14-16-7-11(20-14)12(17)9-6-8-4-2-3-5-10(8)19-13(9)18/h2-7H,1H3,(H,15,16)
InChIKeyWRENJIOECZMIJU-UHFFFAOYSA-N
MW286.31 g/mol
LogP2.52
Rot. Bonds3

About 3-[2-(methylamino)-1,3-thiazole-5-carbonyl]chromen-2-one

3-[2-(methylamino)-1,3-thiazole-5-carbonyl]chromen-2-one (PubChem CID 155542611) has the molecular formula C14H10N2O3S and a molecular weight of 286.31 g/mol. Its IUPAC name is 3-[2-(methylamino)-1,3-thiazole-5-carbonyl]chromen-2-one.

Molecular Properties

Compound Name3-[2-(methylamino)-1,3-thiazole-5-carbonyl]chromen-2-one
PubChem CID155542611
Molecular FormulaC14H10N2O3S
Molecular Weight286.31 g/mol
Exact Mass286.04
IUPAC Name3-[2-(methylamino)-1,3-thiazole-5-carbonyl]chromen-2-one
SMILESCNc1ncc(C(=O)c2cc3ccccc3oc2=O)s1
InChIInChI=1S/C14H10N2O3S/c1-15-14-16-7-11(20-14)12(17)9-6-8-4-2-3-5-10(8)19-13(9)18/h2-7H,1H3,(H,15,16)
InChIKeyWRENJIOECZMIJU-UHFFFAOYSA-N
XLogP2.52
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

Analyze 3-[2-(methylamino)-1,3-thiazole-5-carbonyl]chromen-2-one 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 3-[2-(methylamino)-1,3-thiazole-5-carbonyl]chromen-2-one?
The IUPAC name of 3-[2-(methylamino)-1,3-thiazole-5-carbonyl]chromen-2-one (CID 155542611) is 3-[2-(methylamino)-1,3-thiazole-5-carbonyl]chromen-2-one.
What is the SMILES notation for 3-[2-(methylamino)-1,3-thiazole-5-carbonyl]chromen-2-one?
The canonical SMILES for 3-[2-(methylamino)-1,3-thiazole-5-carbonyl]chromen-2-one is CNc1ncc(C(=O)c2cc3ccccc3oc2=O)s1.
What is the InChIKey of 3-[2-(methylamino)-1,3-thiazole-5-carbonyl]chromen-2-one?
The InChIKey is WRENJIOECZMIJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O3S/c1-15-14-16-7-11(20-14)12(17)9-6-8-4-2-3-5-10(8)19-13(9)18/h2-7H,1H3,(H,15,16).
What are the key properties of 3-[2-(methylamino)-1,3-thiazole-5-carbonyl]chromen-2-one?
3-[2-(methylamino)-1,3-thiazole-5-carbonyl]chromen-2-one has a molecular weight of 286.31 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(methylamino)-1,3-thiazole-5-carbonyl]chromen-2-one is sourced from PubChem (CID 155542611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).