8-methoxy-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)chromen-2-one

C17H11NO3S2 — CID 3239008

IUPAC8-methoxy-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)chromen-2-one
SMILESCOc1cccc2cc(-c3nc(-c4cccs4)cs3)c(=O)oc12
InChIInChI=1S/C17H11NO3S2/c1-20-13-5-2-4-10-8-11(17(19)21-15(10)13)16-18-12(9-23-16)14-6-3-7-22-14/h2-9H,1H3
InChIKeyKBDDDYILGDJCJK-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.65
Rot. Bonds3

About 8-methoxy-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)chromen-2-one

8-methoxy-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)chromen-2-one (PubChem CID 3239008) has the molecular formula C17H11NO3S2 and a molecular weight of 341.41 g/mol. Its IUPAC name is 8-methoxy-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)chromen-2-one.

Molecular Properties

Compound Name8-methoxy-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)chromen-2-one
PubChem CID3239008
Molecular FormulaC17H11NO3S2
Molecular Weight341.41 g/mol
Exact Mass341.02
IUPAC Name8-methoxy-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)chromen-2-one
SMILESCOc1cccc2cc(-c3nc(-c4cccs4)cs3)c(=O)oc12
InChIInChI=1S/C17H11NO3S2/c1-20-13-5-2-4-10-8-11(17(19)21-15(10)13)16-18-12(9-23-16)14-6-3-7-22-14/h2-9H,1H3
InChIKeyKBDDDYILGDJCJK-UHFFFAOYSA-N
XLogP4.65
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.65
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

8-methoxy-3-[2-(4-methylphenyl)-1,3-thiazol-4-yl]chromen-2-one
CID 60615748
3-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-8-methoxychromen-2-one
CID 3430818
8-methoxy-3-phenylchromen-2-one
CID 2195449
8-methoxy-3-[2-(3-methylanilino)-1,3-thiazol-4-yl]chromen-2-one
CID 1108270
3-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]-8-methoxychromen-2-one
CID 1159991
3-[2-(4-chloroanilino)-1,3-thiazol-4-yl]-8-methoxychromen-2-one
CID 1128729
3-[5-(2,5-dimethoxyanilino)-1,3,4-thiadiazol-2-yl]-8-methoxychromen-2-one
CID 1346870
8-methoxy-2-oxo-N-[(5-thiophen-2-ylfuran-2-yl)methyl]chromene-3-carboxamide
CID 122264327
3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-8-methoxychromen-2-one
CID 1119347
8-methoxy-3-[2-[(2E)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-1,3-thiazol-4-yl]chromen-2-one
CID 11144292
3-[2-[[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-4-yl]-8-methoxychromen-2-one
CID 46395038
2-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-4-thiophen-2-yl-1,3-thiazole
CID 46245962

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)chromen-2-one?
The IUPAC name of 8-methoxy-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)chromen-2-one (CID 3239008) is 8-methoxy-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)chromen-2-one.
What is the SMILES notation for 8-methoxy-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)chromen-2-one?
The canonical SMILES for 8-methoxy-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)chromen-2-one is COc1cccc2cc(-c3nc(-c4cccs4)cs3)c(=O)oc12.
What is the InChIKey of 8-methoxy-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)chromen-2-one?
The InChIKey is KBDDDYILGDJCJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11NO3S2/c1-20-13-5-2-4-10-8-11(17(19)21-15(10)13)16-18-12(9-23-16)14-6-3-7-22-14/h2-9H,1H3.
What are the key properties of 8-methoxy-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)chromen-2-one?
8-methoxy-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)chromen-2-one has a molecular weight of 341.41 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)chromen-2-one is sourced from PubChem (CID 3239008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).