7-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methoxy]chromen-2-one

C18H13NO4S — CID 39522025

IUPAC7-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methoxy]chromen-2-one
SMILESCc1ccc(-c2nc(COc3ccc4ccc(=O)oc4c3)cs2)o1
InChIInChI=1S/C18H13NO4S/c1-11-2-6-15(22-11)18-19-13(10-24-18)9-21-14-5-3-12-4-7-17(20)23-16(12)8-14/h2-8,10H,9H2,1H3
InChIKeySWHRVCOUDUCHIT-UHFFFAOYSA-N
MW339.37 g/mol
LogP4.40
Rot. Bonds4

About 7-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methoxy]chromen-2-one

7-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methoxy]chromen-2-one (PubChem CID 39522025) has the molecular formula C18H13NO4S and a molecular weight of 339.37 g/mol. Its IUPAC name is 7-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methoxy]chromen-2-one.

Molecular Properties

Compound Name7-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methoxy]chromen-2-one
PubChem CID39522025
Molecular FormulaC18H13NO4S
Molecular Weight339.37 g/mol
Exact Mass339.06
IUPAC Name7-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methoxy]chromen-2-one
SMILESCc1ccc(-c2nc(COc3ccc4ccc(=O)oc4c3)cs2)o1
InChIInChI=1S/C18H13NO4S/c1-11-2-6-15(22-11)18-19-13(10-24-18)9-21-14-5-3-12-4-7-17(20)23-16(12)8-14/h2-8,10H,9H2,1H3
InChIKeySWHRVCOUDUCHIT-UHFFFAOYSA-N
XLogP4.40
TPSA65.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

7-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]chromen-2-one
CID 38866745
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CID 2906140
2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetic acid
CID 28819374
7-[2-(3,4-dimethylphenoxy)ethoxy]chromen-2-one
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CID 172655705
7-[(3,5-diaminophenyl)methoxy]chromen-2-one
CID 89404478
7-[2-(4-propoxyphenoxy)ethoxy]chromen-2-one
CID 112775413
N-[1-(5-methylfuran-2-yl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 46510251
7-(1,3-benzothiazol-2-ylmethoxy)chromen-2-one
CID 2705029
7-(2-aminoethoxy)chromen-2-one
CID 82506816
7-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methoxy]-4-propylchromen-2-one
CID 46583293
7-(2-methylprop-2-enoxy)chromen-2-one
CID 875202

Frequently Asked Questions

What is the IUPAC name of 7-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methoxy]chromen-2-one?
The IUPAC name of 7-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methoxy]chromen-2-one (CID 39522025) is 7-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methoxy]chromen-2-one.
What is the SMILES notation for 7-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methoxy]chromen-2-one?
The canonical SMILES for 7-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methoxy]chromen-2-one is Cc1ccc(-c2nc(COc3ccc4ccc(=O)oc4c3)cs2)o1.
What is the InChIKey of 7-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methoxy]chromen-2-one?
The InChIKey is SWHRVCOUDUCHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO4S/c1-11-2-6-15(22-11)18-19-13(10-24-18)9-21-14-5-3-12-4-7-17(20)23-16(12)8-14/h2-8,10H,9H2,1H3.
What are the key properties of 7-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methoxy]chromen-2-one?
7-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methoxy]chromen-2-one has a molecular weight of 339.37 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methoxy]chromen-2-one is sourced from PubChem (CID 39522025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).