2-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]chromene-3-carboxamide

C15H12N2O3S — CID 49357043

IUPAC2-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]chromene-3-carboxamide
SMILESO=C(NCCc1nccs1)c1cc2ccccc2oc1=O
InChIInChI=1S/C15H12N2O3S/c18-14(17-6-5-13-16-7-8-21-13)11-9-10-3-1-2-4-12(10)20-15(11)19/h1-4,7-9H,5-6H2,(H,17,18)
InChIKeyDOYYIZZCQVQWGA-UHFFFAOYSA-N
MW300.34 g/mol
LogP2.22
Rot. Bonds4

About 2-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]chromene-3-carboxamide

2-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]chromene-3-carboxamide (PubChem CID 49357043) has the molecular formula C15H12N2O3S and a molecular weight of 300.34 g/mol. Its IUPAC name is 2-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]chromene-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]chromene-3-carboxamide
PubChem CID49357043
Molecular FormulaC15H12N2O3S
Molecular Weight300.34 g/mol
Exact Mass300.06
IUPAC Name2-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]chromene-3-carboxamide
SMILESO=C(NCCc1nccs1)c1cc2ccccc2oc1=O
InChIInChI=1S/C15H12N2O3S/c18-14(17-6-5-13-16-7-8-21-13)11-9-10-3-1-2-4-12(10)20-15(11)19/h1-4,7-9H,5-6H2,(H,17,18)
InChIKeyDOYYIZZCQVQWGA-UHFFFAOYSA-N
XLogP2.22
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 52.22
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-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-2-oxochromene-3-carboxamide
CID 110440714
N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-oxochromene-3-carboxamide
CID 110743007
N-[2-(4-fluorophenyl)ethyl]-2-oxochromene-3-carboxamide
CID 1244317
N-[2-(furan-2-yl)ethyl]-2-oxochromene-3-carboxamide
CID 110745473
N-(3-hydroxy-3-thiophen-2-ylpropyl)-2-oxochromene-3-carboxamide
CID 71787831
N-[3-(dimethylamino)-3-oxopropyl]-2-oxochromene-3-carboxamide
CID 91954791
2-oxo-N-(2-pyrazol-1-ylethyl)chromene-3-carboxamide
CID 110742740
N-[2-(2-fluorophenyl)ethyl]-2-[[(2-oxochromene-3-carbonyl)amino]methyl]-1,3-thiazole-4-carboxamide
CID 90866689
2-oxo-N-pent-3-ynylchromene-3-carboxamide
CID 115977302
2-oxo-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]chromene-3-carboxamide
CID 56742375
N-[2-(2-hydroxypropylamino)ethyl]-2-oxochromene-3-carboxamide
CID 104593757
N-[2-(1-methylpyrrol-3-yl)ethyl]-2-oxochromene-3-carboxamide
CID 110795663

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]chromene-3-carboxamide?
The IUPAC name of 2-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]chromene-3-carboxamide (CID 49357043) is 2-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]chromene-3-carboxamide.
What is the SMILES notation for 2-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]chromene-3-carboxamide?
The canonical SMILES for 2-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]chromene-3-carboxamide is O=C(NCCc1nccs1)c1cc2ccccc2oc1=O.
What is the InChIKey of 2-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]chromene-3-carboxamide?
The InChIKey is DOYYIZZCQVQWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3S/c18-14(17-6-5-13-16-7-8-21-13)11-9-10-3-1-2-4-12(10)20-15(11)19/h1-4,7-9H,5-6H2,(H,17,18).
What are the key properties of 2-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]chromene-3-carboxamide?
2-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]chromene-3-carboxamide has a molecular weight of 300.34 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]chromene-3-carboxamide is sourced from PubChem (CID 49357043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).