N-(4,5-dihydro-1,3-thiazol-2-yl)-2-oxochromene-3-carboxamide

C13H10N2O3S — CID 4127819

IUPACN-(4,5-dihydro-1,3-thiazol-2-yl)-2-oxochromene-3-carboxamide
SMILESO=C(NC1=NCCS1)c1cc2ccccc2oc1=O
InChIInChI=1S/C13H10N2O3S/c16-11(15-13-14-5-6-19-13)9-7-8-3-1-2-4-10(8)18-12(9)17/h1-4,7H,5-6H2,(H,14,15,16)
InChIKeyMREAOORYAPXIEB-UHFFFAOYSA-N
MW274.30 g/mol
LogP1.63
Rot. Bonds1

About N-(4,5-dihydro-1,3-thiazol-2-yl)-2-oxochromene-3-carboxamide

N-(4,5-dihydro-1,3-thiazol-2-yl)-2-oxochromene-3-carboxamide (PubChem CID 4127819) has the molecular formula C13H10N2O3S and a molecular weight of 274.30 g/mol. Its IUPAC name is N-(4,5-dihydro-1,3-thiazol-2-yl)-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-(4,5-dihydro-1,3-thiazol-2-yl)-2-oxochromene-3-carboxamide
PubChem CID4127819
Molecular FormulaC13H10N2O3S
Molecular Weight274.30 g/mol
Exact Mass274.04
IUPAC NameN-(4,5-dihydro-1,3-thiazol-2-yl)-2-oxochromene-3-carboxamide
SMILESO=C(NC1=NCCS1)c1cc2ccccc2oc1=O
InChIInChI=1S/C13H10N2O3S/c16-11(15-13-14-5-6-19-13)9-7-8-3-1-2-4-10(8)18-12(9)17/h1-4,7H,5-6H2,(H,14,15,16)
InChIKeyMREAOORYAPXIEB-UHFFFAOYSA-N
XLogP1.63
TPSA71.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4,5-dihydro-1,3-thiazol-2-yl)-8-methoxy-2-oxochromene-3-carboxamide
CID 4875619
N-(2,6-difluorophenyl)-2-oxochromene-3-carboxamide
CID 42618006
2-oxo-N-(2-propan-2-ylpyrazol-3-yl)chromene-3-carboxamide
CID 30183382
N-[4-[(2-oxochromene-3-carbonyl)amino]phenyl]pyridine-2-carboxamide
CID 1442136
N-carbamoyl-2-oxochromene-3-carboxamide
CID 849924
N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-2-oxochromene-3-carboxamide
CID 108727609
N-[3-(1,3-dithian-2-yl)phenyl]-2-oxochromene-3-carboxamide
CID 27842518
N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-oxochromene-3-carboxamide
CID 1185919
N-(4-carbamoylphenyl)-2-oxochromene-3-carboxamide
CID 717683
2-oxo-N-[4-(trifluoromethyl)phenyl]chromene-3-carboxamide
CID 10065394
N-[4-(hydroxymethyl)phenyl]-2-oxochromene-3-carboxamide
CID 23661443
N-(2-methyl-4-pyridinyl)-2-oxochromene-3-carboxamide
CID 110757271

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-oxochromene-3-carboxamide?
The IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-oxochromene-3-carboxamide (CID 4127819) is N-(4,5-dihydro-1,3-thiazol-2-yl)-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-(4,5-dihydro-1,3-thiazol-2-yl)-2-oxochromene-3-carboxamide?
The canonical SMILES for N-(4,5-dihydro-1,3-thiazol-2-yl)-2-oxochromene-3-carboxamide is O=C(NC1=NCCS1)c1cc2ccccc2oc1=O.
What is the InChIKey of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-oxochromene-3-carboxamide?
The InChIKey is MREAOORYAPXIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O3S/c16-11(15-13-14-5-6-19-13)9-7-8-3-1-2-4-10(8)18-12(9)17/h1-4,7H,5-6H2,(H,14,15,16).
What are the key properties of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-oxochromene-3-carboxamide?
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-oxochromene-3-carboxamide has a molecular weight of 274.30 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1,3-thiazol-2-yl)-2-oxochromene-3-carboxamide is sourced from PubChem (CID 4127819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).