6-chloro-2-oxo-N-(1,3-thiazol-2-yl)chromene-3-carboxamide

C13H7ClN2O3S — CID 780578

IUPAC6-chloro-2-oxo-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
SMILESO=C(Nc1nccs1)c1cc2cc(Cl)ccc2oc1=O
InChIInChI=1S/C13H7ClN2O3S/c14-8-1-2-10-7(5-8)6-9(12(18)19-10)11(17)16-13-15-3-4-20-13/h1-6H,(H,15,16,17)
InChIKeyFTCUQQFDUBABCH-UHFFFAOYSA-N
MW306.73 g/mol
LogP3.16
Rot. Bonds2

About 6-chloro-2-oxo-N-(1,3-thiazol-2-yl)chromene-3-carboxamide

6-chloro-2-oxo-N-(1,3-thiazol-2-yl)chromene-3-carboxamide (PubChem CID 780578) has the molecular formula C13H7ClN2O3S and a molecular weight of 306.73 g/mol. Its IUPAC name is 6-chloro-2-oxo-N-(1,3-thiazol-2-yl)chromene-3-carboxamide.

Molecular Properties

Compound Name6-chloro-2-oxo-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
PubChem CID780578
Molecular FormulaC13H7ClN2O3S
Molecular Weight306.73 g/mol
Exact Mass305.99
IUPAC Name6-chloro-2-oxo-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
SMILESO=C(Nc1nccs1)c1cc2cc(Cl)ccc2oc1=O
InChIInChI=1S/C13H7ClN2O3S/c14-8-1-2-10-7(5-8)6-9(12(18)19-10)11(17)16-13-15-3-4-20-13/h1-6H,(H,15,16,17)
InChIKeyFTCUQQFDUBABCH-UHFFFAOYSA-N
XLogP3.16
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.73
LogP ≤ 53.16
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

2-(4-chloro-2-methylphenoxy)-N-(1,3-thiazol-2-yl)acetamide
CID 720854
8-ethoxy-2-oxo-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
CID 3235723
[2-[(E)-3-oxo-3-(1,3-thiazol-2-ylamino)prop-1-enyl]phenyl] acetate
CID 145965941
5-chloro-2-methoxy-N-(1,3-thiazol-2-yl)benzamide
CID 1124061
(2Z)-6-chloro-2-[(4-fluorophenyl)imino]-N-(1,3-thiazol-2-yl)-2H-chromene-3-carboxamide
CID 4102510
6-chloro-4-hydroxy-2-oxo-N-1,3-thiazol-2-yl-2H-chromene-3-carboxamide
CID 54677845
2-oxo-N-(1,3-thiazol-2-yl)-2H-chromene-3-carboxamide
CID 4589607
2H-1-Benzopyran-3-carboxamide, 2-imino-N-(2-thiazolyl)-
CID 397084
N-[4-(6-chloro-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]acetamide
CID 748815
6-bromo-2-oxo-N-(1,3-thiazol-2-yl)-2H-chromene-3-carboxamide
CID 3123868
(2Z)-6-chloro-2-[(2-methylphenyl)imino]-N-(1,3-thiazol-2-yl)-2H-chromene-3-carboxamide
CID 5079973
(2Z)-6-chloro-2-[(3-methylphenyl)imino]-N-(1,3-thiazol-2-yl)-2H-chromene-3-carboxamide
CID 5079974

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-oxo-N-(1,3-thiazol-2-yl)chromene-3-carboxamide?
The IUPAC name of 6-chloro-2-oxo-N-(1,3-thiazol-2-yl)chromene-3-carboxamide (CID 780578) is 6-chloro-2-oxo-N-(1,3-thiazol-2-yl)chromene-3-carboxamide.
What is the SMILES notation for 6-chloro-2-oxo-N-(1,3-thiazol-2-yl)chromene-3-carboxamide?
The canonical SMILES for 6-chloro-2-oxo-N-(1,3-thiazol-2-yl)chromene-3-carboxamide is O=C(Nc1nccs1)c1cc2cc(Cl)ccc2oc1=O.
What is the InChIKey of 6-chloro-2-oxo-N-(1,3-thiazol-2-yl)chromene-3-carboxamide?
The InChIKey is FTCUQQFDUBABCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClN2O3S/c14-8-1-2-10-7(5-8)6-9(12(18)19-10)11(17)16-13-15-3-4-20-13/h1-6H,(H,15,16,17).
What are the key properties of 6-chloro-2-oxo-N-(1,3-thiazol-2-yl)chromene-3-carboxamide?
6-chloro-2-oxo-N-(1,3-thiazol-2-yl)chromene-3-carboxamide has a molecular weight of 306.73 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-oxo-N-(1,3-thiazol-2-yl)chromene-3-carboxamide is sourced from PubChem (CID 780578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).