[4-oxo-3-(1,3-thiazol-4-yl)chromen-7-yl] formate

C13H7NO4S — CID 945075

IUPAC[4-oxo-3-(1,3-thiazol-4-yl)chromen-7-yl] formate
SMILESO=COc1ccc2c(=O)c(-c3cscn3)coc2c1
InChIInChI=1S/C13H7NO4S/c15-7-18-8-1-2-9-12(3-8)17-4-10(13(9)16)11-5-19-6-14-11/h1-7H
InChIKeyULZMIOUKLDORNF-UHFFFAOYSA-N
MW273.27 g/mol
LogP2.45
Rot. Bonds3

About [4-oxo-3-(1,3-thiazol-4-yl)chromen-7-yl] formate

[4-oxo-3-(1,3-thiazol-4-yl)chromen-7-yl] formate (PubChem CID 945075) has the molecular formula C13H7NO4S and a molecular weight of 273.27 g/mol. Its IUPAC name is [4-oxo-3-(1,3-thiazol-4-yl)chromen-7-yl] formate.

Molecular Properties

Compound Name[4-oxo-3-(1,3-thiazol-4-yl)chromen-7-yl] formate
PubChem CID945075
Molecular FormulaC13H7NO4S
Molecular Weight273.27 g/mol
Exact Mass273.01
IUPAC Name[4-oxo-3-(1,3-thiazol-4-yl)chromen-7-yl] formate
SMILESO=COc1ccc2c(=O)c(-c3cscn3)coc2c1
InChIInChI=1S/C13H7NO4S/c15-7-18-8-1-2-9-12(3-8)17-4-10(13(9)16)11-5-19-6-14-11/h1-7H
InChIKeyULZMIOUKLDORNF-UHFFFAOYSA-N
XLogP2.45
TPSA69.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.27
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(4-oxo-3-pyridin-2-ylchromen-7-yl) formate
CID 4645423
3-(1,3-thiazol-4-yl)-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
CID 3564600
2-[2-(3,4-dimethoxyphenyl)ethenyl]-7-ethoxy-3-(1,3-thiazol-4-yl)chromen-4-one
CID 5024825
7-methoxy-3-(4-methoxyphenyl)chromen-4-one
CID 46702269
sodium 2-(4-oxo-3-pyridin-2-ylchromen-7-yl)oxyacetate
CID 23704767
7-hydroxy-3-(2-methyl-1,3-thiazol-4-yl)chromen-4-one
CID 5408024
2-(4-oxo-3-phenylchromen-7-yl)oxyacetic acid
CID 15122627
3-(4-bromophenyl)-7-[(3,4-dichlorophenyl)methoxy]chromen-4-one
CID 4627849
3-(4-bromophenyl)-7-[(4-methylphenyl)methoxy]chromen-4-one
CID 2013461
3-(4-ethoxyphenyl)-7-hydroxychromen-4-one
CID 71406499
ethyl 2-[2-methyl-4-oxo-3-(1,3-thiazol-4-yl)chromen-7-yl]oxyacetate
CID 912979
7-hex-5-enoxy-3-(4-hex-5-enoxyphenyl)chromen-4-one
CID 11811829

Frequently Asked Questions

What is the IUPAC name of [4-oxo-3-(1,3-thiazol-4-yl)chromen-7-yl] formate?
The IUPAC name of [4-oxo-3-(1,3-thiazol-4-yl)chromen-7-yl] formate (CID 945075) is [4-oxo-3-(1,3-thiazol-4-yl)chromen-7-yl] formate.
What is the SMILES notation for [4-oxo-3-(1,3-thiazol-4-yl)chromen-7-yl] formate?
The canonical SMILES for [4-oxo-3-(1,3-thiazol-4-yl)chromen-7-yl] formate is O=COc1ccc2c(=O)c(-c3cscn3)coc2c1.
What is the InChIKey of [4-oxo-3-(1,3-thiazol-4-yl)chromen-7-yl] formate?
The InChIKey is ULZMIOUKLDORNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7NO4S/c15-7-18-8-1-2-9-12(3-8)17-4-10(13(9)16)11-5-19-6-14-11/h1-7H.
What are the key properties of [4-oxo-3-(1,3-thiazol-4-yl)chromen-7-yl] formate?
[4-oxo-3-(1,3-thiazol-4-yl)chromen-7-yl] formate has a molecular weight of 273.27 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-oxo-3-(1,3-thiazol-4-yl)chromen-7-yl] formate is sourced from PubChem (CID 945075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).