8-methoxy-2-oxo-N-[4-(1,3-thiazol-2-yl)phenyl]chromene-3-carboxamide

C20H14N2O4S — CID 27701547

IUPAC8-methoxy-2-oxo-N-[4-(1,3-thiazol-2-yl)phenyl]chromene-3-carboxamide
SMILESCOc1cccc2cc(C(=O)Nc3ccc(-c4nccs4)cc3)c(=O)oc12
InChIInChI=1S/C20H14N2O4S/c1-25-16-4-2-3-13-11-15(20(24)26-17(13)16)18(23)22-14-7-5-12(6-8-14)19-21-9-10-27-19/h2-11H,1H3,(H,22,23)
InChIKeyRHZIQGHMXMSWQL-UHFFFAOYSA-N
MW378.41 g/mol
LogP4.18
Rot. Bonds4

About 8-methoxy-2-oxo-N-[4-(1,3-thiazol-2-yl)phenyl]chromene-3-carboxamide

8-methoxy-2-oxo-N-[4-(1,3-thiazol-2-yl)phenyl]chromene-3-carboxamide (PubChem CID 27701547) has the molecular formula C20H14N2O4S and a molecular weight of 378.41 g/mol. Its IUPAC name is 8-methoxy-2-oxo-N-[4-(1,3-thiazol-2-yl)phenyl]chromene-3-carboxamide.

Molecular Properties

Compound Name8-methoxy-2-oxo-N-[4-(1,3-thiazol-2-yl)phenyl]chromene-3-carboxamide
PubChem CID27701547
Molecular FormulaC20H14N2O4S
Molecular Weight378.41 g/mol
Exact Mass378.07
IUPAC Name8-methoxy-2-oxo-N-[4-(1,3-thiazol-2-yl)phenyl]chromene-3-carboxamide
SMILESCOc1cccc2cc(C(=O)Nc3ccc(-c4nccs4)cc3)c(=O)oc12
InChIInChI=1S/C20H14N2O4S/c1-25-16-4-2-3-13-11-15(20(24)26-17(13)16)18(23)22-14-7-5-12(6-8-14)19-21-9-10-27-19/h2-11H,1H3,(H,22,23)
InChIKeyRHZIQGHMXMSWQL-UHFFFAOYSA-N
XLogP4.18
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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CID 121024370
N-(2-imidazol-1-ylpyrimidin-5-yl)-8-methoxy-2-oxochromene-3-carboxamide
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N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-8-methoxy-2-oxochromene-3-carboxamide
CID 122302958
N-(2,6-diethylphenyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 7470756
N-(4,5-dihydro-1,3-thiazol-2-yl)-8-methoxy-2-oxochromene-3-carboxamide
CID 4875619
8-ethoxy-2-oxo-N-phenylchromene-3-carboxamide
CID 4523886
N-[3-(1H-indol-5-yl)phenyl]-8-methoxy-2-oxochromene-3-carboxamide
CID 86650416
2,5-dimethyl-N-[4-(1,3-thiazol-2-yl)phenyl]furan-3-carboxamide
CID 27702222
N-(2-fluorophenyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 749756
8-methoxy-N-[4-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]-2-oxochromene-3-carboxamide
CID 122297017
8-methoxy-2-oxo-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]chromene-3-carboxamide
CID 122299980

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-2-oxo-N-[4-(1,3-thiazol-2-yl)phenyl]chromene-3-carboxamide?
The IUPAC name of 8-methoxy-2-oxo-N-[4-(1,3-thiazol-2-yl)phenyl]chromene-3-carboxamide (CID 27701547) is 8-methoxy-2-oxo-N-[4-(1,3-thiazol-2-yl)phenyl]chromene-3-carboxamide.
What is the SMILES notation for 8-methoxy-2-oxo-N-[4-(1,3-thiazol-2-yl)phenyl]chromene-3-carboxamide?
The canonical SMILES for 8-methoxy-2-oxo-N-[4-(1,3-thiazol-2-yl)phenyl]chromene-3-carboxamide is COc1cccc2cc(C(=O)Nc3ccc(-c4nccs4)cc3)c(=O)oc12.
What is the InChIKey of 8-methoxy-2-oxo-N-[4-(1,3-thiazol-2-yl)phenyl]chromene-3-carboxamide?
The InChIKey is RHZIQGHMXMSWQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O4S/c1-25-16-4-2-3-13-11-15(20(24)26-17(13)16)18(23)22-14-7-5-12(6-8-14)19-21-9-10-27-19/h2-11H,1H3,(H,22,23).
What are the key properties of 8-methoxy-2-oxo-N-[4-(1,3-thiazol-2-yl)phenyl]chromene-3-carboxamide?
8-methoxy-2-oxo-N-[4-(1,3-thiazol-2-yl)phenyl]chromene-3-carboxamide has a molecular weight of 378.41 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-2-oxo-N-[4-(1,3-thiazol-2-yl)phenyl]chromene-3-carboxamide is sourced from PubChem (CID 27701547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).