8-ethoxy-2-oxo-N-(1,3-thiazol-2-yl)chromene-3-carboxamide

C15H12N2O4S — CID 3235723

IUPAC8-ethoxy-2-oxo-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
SMILESCCOc1cccc2cc(C(=O)Nc3nccs3)c(=O)oc12
InChIInChI=1S/C15H12N2O4S/c1-2-20-11-5-3-4-9-8-10(14(19)21-12(9)11)13(18)17-15-16-6-7-22-15/h3-8H,2H2,1H3,(H,16,17,18)
InChIKeyGHFQZATUEQIGJY-UHFFFAOYSA-N
MW316.34 g/mol
LogP2.90
Rot. Bonds4

About 8-ethoxy-2-oxo-N-(1,3-thiazol-2-yl)chromene-3-carboxamide

8-ethoxy-2-oxo-N-(1,3-thiazol-2-yl)chromene-3-carboxamide (PubChem CID 3235723) has the molecular formula C15H12N2O4S and a molecular weight of 316.34 g/mol. Its IUPAC name is 8-ethoxy-2-oxo-N-(1,3-thiazol-2-yl)chromene-3-carboxamide.

Molecular Properties

Compound Name8-ethoxy-2-oxo-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
PubChem CID3235723
Molecular FormulaC15H12N2O4S
Molecular Weight316.34 g/mol
Exact Mass316.05
IUPAC Name8-ethoxy-2-oxo-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
SMILESCCOc1cccc2cc(C(=O)Nc3nccs3)c(=O)oc12
InChIInChI=1S/C15H12N2O4S/c1-2-20-11-5-3-4-9-8-10(14(19)21-12(9)11)13(18)17-15-16-6-7-22-15/h3-8H,2H2,1H3,(H,16,17,18)
InChIKeyGHFQZATUEQIGJY-UHFFFAOYSA-N
XLogP2.90
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 52.90
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

6-chloro-2-oxo-N-(1,3-thiazol-2-yl)-2H-chromene-3-carboxamide
CID 780578
8-methoxy-N-(1,3-thiazol-2-yl)-2H-chromene-3-carboxamide
CID 1478778
(E)-2-cyano-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1,3-thiazol-2-yl)prop-2-enamide
CID 2714150
N-[(3-ethoxy-2-prop-2-enoxyphenyl)methyl]-2-thiazolamine
CID 2214016
SphK1&2-IN-1
CID 897895
4-(2,5-Dimethyl-phenoxy)-N-thiazol-2-yl-butyramide
CID 1570488
[3-[(E)-3-oxo-3-(1,3-thiazol-2-ylamino)prop-1-enyl]phenyl] acetate
CID 145964172
[2-[(E)-3-oxo-3-(1,3-thiazol-2-ylamino)prop-1-enyl]phenyl] acetate
CID 145965941
[2-acetyloxy-4-[(E)-3-oxo-3-(1,3-thiazol-2-ylamino)prop-1-enyl]phenyl] acetate
CID 145972620
[4-[(E)-3-oxo-3-(1,3-thiazol-2-ylamino)prop-1-enyl]phenyl] acetate
CID 145975860
[2-methoxy-4-[(E)-3-oxo-3-(1,3-thiazol-2-ylamino)prop-1-enyl]phenyl] acetate
CID 145976148
[2-[(5-Bromothiazol-2-yl)carbamoyl]-6-methoxy-phenyl] acetate
CID 11588782

Frequently Asked Questions

What is the IUPAC name of 8-ethoxy-2-oxo-N-(1,3-thiazol-2-yl)chromene-3-carboxamide?
The IUPAC name of 8-ethoxy-2-oxo-N-(1,3-thiazol-2-yl)chromene-3-carboxamide (CID 3235723) is 8-ethoxy-2-oxo-N-(1,3-thiazol-2-yl)chromene-3-carboxamide.
What is the SMILES notation for 8-ethoxy-2-oxo-N-(1,3-thiazol-2-yl)chromene-3-carboxamide?
The canonical SMILES for 8-ethoxy-2-oxo-N-(1,3-thiazol-2-yl)chromene-3-carboxamide is CCOc1cccc2cc(C(=O)Nc3nccs3)c(=O)oc12.
What is the InChIKey of 8-ethoxy-2-oxo-N-(1,3-thiazol-2-yl)chromene-3-carboxamide?
The InChIKey is GHFQZATUEQIGJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O4S/c1-2-20-11-5-3-4-9-8-10(14(19)21-12(9)11)13(18)17-15-16-6-7-22-15/h3-8H,2H2,1H3,(H,16,17,18).
What are the key properties of 8-ethoxy-2-oxo-N-(1,3-thiazol-2-yl)chromene-3-carboxamide?
8-ethoxy-2-oxo-N-(1,3-thiazol-2-yl)chromene-3-carboxamide has a molecular weight of 316.34 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethoxy-2-oxo-N-(1,3-thiazol-2-yl)chromene-3-carboxamide is sourced from PubChem (CID 3235723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).