7-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]chromen-2-one

C16H15NO3S — CID 38866745

IUPAC7-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]chromen-2-one
SMILESCC(C)c1nc(COc2ccc3ccc(=O)oc3c2)cs1
InChIInChI=1S/C16H15NO3S/c1-10(2)16-17-12(9-21-16)8-19-13-5-3-11-4-6-15(18)20-14(11)7-13/h3-7,9-10H,8H2,1-2H3
InChIKeyJUUQTAPVOUTCBY-UHFFFAOYSA-N
MW301.37 g/mol
LogP3.95
Rot. Bonds4

About 7-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]chromen-2-one

7-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]chromen-2-one (PubChem CID 38866745) has the molecular formula C16H15NO3S and a molecular weight of 301.37 g/mol. Its IUPAC name is 7-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]chromen-2-one.

Molecular Properties

Compound Name7-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]chromen-2-one
PubChem CID38866745
Molecular FormulaC16H15NO3S
Molecular Weight301.37 g/mol
Exact Mass301.08
IUPAC Name7-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]chromen-2-one
SMILESCC(C)c1nc(COc2ccc3ccc(=O)oc3c2)cs1
InChIInChI=1S/C16H15NO3S/c1-10(2)16-17-12(9-21-16)8-19-13-5-3-11-4-6-15(18)20-14(11)7-13/h3-7,9-10H,8H2,1-2H3
InChIKeyJUUQTAPVOUTCBY-UHFFFAOYSA-N
XLogP3.95
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

7-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methoxy]chromen-2-one
CID 39522025
4-[(3-fluoro-4-methoxyphenoxy)methyl]-2-propan-2-yl-1,3-thiazole
CID 86850292
(1R)-1-[4-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]ethanol
CID 63364376
7-[(4-methoxyphenyl)methoxy]chromen-2-one
CID 2906140
7-[(5-propan-2-yl-2-pyridin-2-yl-1,2,4-triazol-3-yl)methoxy]chromen-2-one
CID 50967226
[5-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]-2-pyridinyl]methanol
CID 79799349
5-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]pyridine-2-carboxylic acid
CID 79793804
4-[(2-bromo-4-methoxyphenoxy)methyl]-2-propan-2-yl-1,3-thiazole
CID 104704731
7-[(3,5-diaminophenyl)methoxy]chromen-2-one
CID 89404478
7-(2-hydroxypentoxy)chromen-2-one
CID 130287251
7-[2-(4-propoxyphenoxy)ethoxy]chromen-2-one
CID 112775413
7-[2-oxo-2-(4-propan-2-ylphenyl)ethoxy]chromen-2-one
CID 7565097

Frequently Asked Questions

What is the IUPAC name of 7-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]chromen-2-one?
The IUPAC name of 7-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]chromen-2-one (CID 38866745) is 7-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]chromen-2-one.
What is the SMILES notation for 7-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]chromen-2-one?
The canonical SMILES for 7-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]chromen-2-one is CC(C)c1nc(COc2ccc3ccc(=O)oc3c2)cs1.
What is the InChIKey of 7-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]chromen-2-one?
The InChIKey is JUUQTAPVOUTCBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3S/c1-10(2)16-17-12(9-21-16)8-19-13-5-3-11-4-6-15(18)20-14(11)7-13/h3-7,9-10H,8H2,1-2H3.
What are the key properties of 7-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]chromen-2-one?
7-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]chromen-2-one has a molecular weight of 301.37 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]chromen-2-one is sourced from PubChem (CID 38866745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).