6-chloro-4-hydroxy-2-oxo-N-(1,3-thiazol-2-yl)chromene-3-carboxamide

C13H7ClN2O4S — CID 54677845

IUPAC6-chloro-4-hydroxy-2-oxo-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
SMILESO=C(Nc1nccs1)c1c(O)c2cc(Cl)ccc2oc1=O
InChIInChI=1S/C13H7ClN2O4S/c14-6-1-2-8-7(5-6)10(17)9(12(19)20-8)11(18)16-13-15-3-4-21-13/h1-5,17H,(H,15,16,18)
InChIKeyFZNVVFXYKYPFSL-UHFFFAOYSA-N
MW322.73 g/mol
LogP2.86
Rot. Bonds2

About 6-chloro-4-hydroxy-2-oxo-N-(1,3-thiazol-2-yl)chromene-3-carboxamide

6-chloro-4-hydroxy-2-oxo-N-(1,3-thiazol-2-yl)chromene-3-carboxamide (PubChem CID 54677845) has the molecular formula C13H7ClN2O4S and a molecular weight of 322.73 g/mol. Its IUPAC name is 6-chloro-4-hydroxy-2-oxo-N-(1,3-thiazol-2-yl)chromene-3-carboxamide.

Molecular Properties

Compound Name6-chloro-4-hydroxy-2-oxo-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
PubChem CID54677845
Molecular FormulaC13H7ClN2O4S
Molecular Weight322.73 g/mol
Exact Mass321.98
IUPAC Name6-chloro-4-hydroxy-2-oxo-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
SMILESO=C(Nc1nccs1)c1c(O)c2cc(Cl)ccc2oc1=O
InChIInChI=1S/C13H7ClN2O4S/c14-6-1-2-8-7(5-6)10(17)9(12(19)20-8)11(18)16-13-15-3-4-21-13/h1-5,17H,(H,15,16,18)
InChIKeyFZNVVFXYKYPFSL-UHFFFAOYSA-N
XLogP2.86
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.73
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-2-oxo-N-(1,3-thiazol-2-yl)-2H-chromene-3-carboxamide
CID 780578
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
6-chloro-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-oxochromene-3-carboxamide
CID 3951890
6-chloro-N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-oxochromene-3-carboxamide
CID 4312248
6,8-dichloro-2-imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
CID 399132
6-methoxy-2-oxo-N-(1,3-thiazol-2-yl)-2H-chromene-3-carboxamide
CID 3123869
4-(4-chloro-2-methylphenoxy)-N-(1,3-thiazol-2-yl)butanamide
CID 3148038
7-chloro-N-(1,3-thiazol-2-yl)-1-benzoxepine-4-carboxamide
CID 20896537
2-(6-chloro-7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)-N-(thiazol-2-yl)acetamide
CID 16426774
4,7-dihydroxy-2-oxo-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
CID 54730575
6-chloro-N-[5-[ethoxy(hydroxy)methyl]-1,3-thiazol-2-yl]-2-oxochromene-3-carboxamide
CID 155176302

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-hydroxy-2-oxo-N-(1,3-thiazol-2-yl)chromene-3-carboxamide?
The IUPAC name of 6-chloro-4-hydroxy-2-oxo-N-(1,3-thiazol-2-yl)chromene-3-carboxamide (CID 54677845) is 6-chloro-4-hydroxy-2-oxo-N-(1,3-thiazol-2-yl)chromene-3-carboxamide.
What is the SMILES notation for 6-chloro-4-hydroxy-2-oxo-N-(1,3-thiazol-2-yl)chromene-3-carboxamide?
The canonical SMILES for 6-chloro-4-hydroxy-2-oxo-N-(1,3-thiazol-2-yl)chromene-3-carboxamide is O=C(Nc1nccs1)c1c(O)c2cc(Cl)ccc2oc1=O.
What is the InChIKey of 6-chloro-4-hydroxy-2-oxo-N-(1,3-thiazol-2-yl)chromene-3-carboxamide?
The InChIKey is FZNVVFXYKYPFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClN2O4S/c14-6-1-2-8-7(5-6)10(17)9(12(19)20-8)11(18)16-13-15-3-4-21-13/h1-5,17H,(H,15,16,18).
What are the key properties of 6-chloro-4-hydroxy-2-oxo-N-(1,3-thiazol-2-yl)chromene-3-carboxamide?
6-chloro-4-hydroxy-2-oxo-N-(1,3-thiazol-2-yl)chromene-3-carboxamide has a molecular weight of 322.73 g/mol, XLogP of 2.86, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-hydroxy-2-oxo-N-(1,3-thiazol-2-yl)chromene-3-carboxamide is sourced from PubChem (CID 54677845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).