6-chloro-4-methyl-7-(1,2-thiazol-5-ylmethoxy)chromen-2-one

C14H10ClNO3S — CID 166372173

IUPAC6-chloro-4-methyl-7-(1,2-thiazol-5-ylmethoxy)chromen-2-one
SMILESCc1cc(=O)oc2cc(OCc3ccns3)c(Cl)cc12
InChIInChI=1S/C14H10ClNO3S/c1-8-4-14(17)19-12-6-13(11(15)5-10(8)12)18-7-9-2-3-16-20-9/h2-6H,7H2,1H3
InChIKeyYWCQDKGVUHCASB-UHFFFAOYSA-N
MW307.76 g/mol
LogP3.79
Rot. Bonds3

About 6-chloro-4-methyl-7-(1,2-thiazol-5-ylmethoxy)chromen-2-one

6-chloro-4-methyl-7-(1,2-thiazol-5-ylmethoxy)chromen-2-one (PubChem CID 166372173) has the molecular formula C14H10ClNO3S and a molecular weight of 307.76 g/mol. Its IUPAC name is 6-chloro-4-methyl-7-(1,2-thiazol-5-ylmethoxy)chromen-2-one.

Molecular Properties

Compound Name6-chloro-4-methyl-7-(1,2-thiazol-5-ylmethoxy)chromen-2-one
PubChem CID166372173
Molecular FormulaC14H10ClNO3S
Molecular Weight307.76 g/mol
Exact Mass307.01
IUPAC Name6-chloro-4-methyl-7-(1,2-thiazol-5-ylmethoxy)chromen-2-one
SMILESCc1cc(=O)oc2cc(OCc3ccns3)c(Cl)cc12
InChIInChI=1S/C14H10ClNO3S/c1-8-4-14(17)19-12-6-13(11(15)5-10(8)12)18-7-9-2-3-16-20-9/h2-6H,7H2,1H3
InChIKeyYWCQDKGVUHCASB-UHFFFAOYSA-N
XLogP3.79
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.76
LogP ≤ 53.79
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

6-chloro-4-methyl-7-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]chromen-2-one
CID 38896678
6-chloro-7-[(4-ethenylphenyl)methoxy]-4-methylchromen-2-one
CID 1332729
4-[(6-chloro-4-methyl-2-oxochromen-7-yl)oxymethyl]benzonitrile
CID 4825255
2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxyacetic acid
CID 782909
ethyl 2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxyacetate
CID 782904
6-chloro-7-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methoxy]-4-methylchromen-2-one
CID 27015894
methyl 5-[(6-chloro-4-methyl-2-oxochromen-7-yl)oxymethyl]furan-2-carboxylate
CID 5124704
6-chloro-7-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methoxy]-4-methylchromen-2-one
CID 9355878
4-(6-chloro-4-methyl-2-oxochromen-7-yl)oxybutanoic acid
CID 20990338
6-chloro-4-methyl-7-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methoxy]chromen-2-one
CID 39527648
6-chloro-4-methyl-7-[2-(5-methylthiophen-2-yl)-2-oxoethoxy]chromen-2-one
CID 8505671
6-chloro-7-[(2-methoxy-5-nitrophenyl)methoxy]-4-methylchromen-2-one
CID 2913583

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-methyl-7-(1,2-thiazol-5-ylmethoxy)chromen-2-one?
The IUPAC name of 6-chloro-4-methyl-7-(1,2-thiazol-5-ylmethoxy)chromen-2-one (CID 166372173) is 6-chloro-4-methyl-7-(1,2-thiazol-5-ylmethoxy)chromen-2-one.
What is the SMILES notation for 6-chloro-4-methyl-7-(1,2-thiazol-5-ylmethoxy)chromen-2-one?
The canonical SMILES for 6-chloro-4-methyl-7-(1,2-thiazol-5-ylmethoxy)chromen-2-one is Cc1cc(=O)oc2cc(OCc3ccns3)c(Cl)cc12.
What is the InChIKey of 6-chloro-4-methyl-7-(1,2-thiazol-5-ylmethoxy)chromen-2-one?
The InChIKey is YWCQDKGVUHCASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNO3S/c1-8-4-14(17)19-12-6-13(11(15)5-10(8)12)18-7-9-2-3-16-20-9/h2-6H,7H2,1H3.
What are the key properties of 6-chloro-4-methyl-7-(1,2-thiazol-5-ylmethoxy)chromen-2-one?
6-chloro-4-methyl-7-(1,2-thiazol-5-ylmethoxy)chromen-2-one has a molecular weight of 307.76 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-methyl-7-(1,2-thiazol-5-ylmethoxy)chromen-2-one is sourced from PubChem (CID 166372173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).