6,7-dimethyl-3-(2-phenyl-1,3-thiazol-4-yl)chromen-4-one

C20H15NO2S — CID 12753576

IUPAC6,7-dimethyl-3-(2-phenyl-1,3-thiazol-4-yl)chromen-4-one
SMILESCc1cc2occ(-c3csc(-c4ccccc4)n3)c(=O)c2cc1C
InChIInChI=1S/C20H15NO2S/c1-12-8-15-18(9-13(12)2)23-10-16(19(15)22)17-11-24-20(21-17)14-6-4-3-5-7-14/h3-11H,1-2H3
InChIKeyJXOYPFAANZRLSX-UHFFFAOYSA-N
MW333.41 g/mol
LogP5.20
Rot. Bonds2

About 6,7-dimethyl-3-(2-phenyl-1,3-thiazol-4-yl)chromen-4-one

6,7-dimethyl-3-(2-phenyl-1,3-thiazol-4-yl)chromen-4-one (PubChem CID 12753576) has the molecular formula C20H15NO2S and a molecular weight of 333.41 g/mol. Its IUPAC name is 6,7-dimethyl-3-(2-phenyl-1,3-thiazol-4-yl)chromen-4-one.

Molecular Properties

Compound Name6,7-dimethyl-3-(2-phenyl-1,3-thiazol-4-yl)chromen-4-one
PubChem CID12753576
Molecular FormulaC20H15NO2S
Molecular Weight333.41 g/mol
Exact Mass333.08
IUPAC Name6,7-dimethyl-3-(2-phenyl-1,3-thiazol-4-yl)chromen-4-one
SMILESCc1cc2occ(-c3csc(-c4ccccc4)n3)c(=O)c2cc1C
InChIInChI=1S/C20H15NO2S/c1-12-8-15-18(9-13(12)2)23-10-16(19(15)22)17-11-24-20(21-17)14-6-4-3-5-7-14/h3-11H,1-2H3
InChIKeyJXOYPFAANZRLSX-UHFFFAOYSA-N
XLogP5.20
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.41
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(4-Methoxyphenyl)-1,3-thiazol-2-yl]benzenecarboxylic acid
CID 1483723
Benzoic acid, 2-methoxy-5-(4-methyl-2-thiazolyl)-
CID 215199
3-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-6-methoxy-2H-chromen-2-one
CID 5156131
1-[2,3-Dimethyl-4-[(4-phenyl-1,3-thiazol-2-yl)methoxy]phenyl]-2-methylprop-2-en-1-one
CID 57384081
1-[2,3-Dimethyl-4-[[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methoxy]phenyl]-2-methylidenebutan-1-one
CID 57391284
1-[2,3-Dimethyl-4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)methoxy]phenyl]-2-methylidenebutan-1-one
CID 57393067
2-Methyl-1-[2-methyl-4-[(4-phenyl-1,3-thiazol-2-yl)methoxy]phenyl]prop-2-en-1-one
CID 57396546
1-[2,3-Dimethyl-4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)methoxy]phenyl]-2-methylprop-2-en-1-one
CID 57399994
1-[2,3-Dimethyl-4-[[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methoxy]phenyl]-2-methylprop-2-en-1-one
CID 57401788
(4-Methoxyphenyl)(2-phenylthiazol-4-yl)methanone
CID 25258380
(2-Methoxyphenyl)(2-phenylthiazol-4-yl)methanone
CID 25258604
(3,4-Dimethoxyphenyl)(2-phenylthiazol-4-yl)methanone
CID 25258605

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-3-(2-phenyl-1,3-thiazol-4-yl)chromen-4-one?
The IUPAC name of 6,7-dimethyl-3-(2-phenyl-1,3-thiazol-4-yl)chromen-4-one (CID 12753576) is 6,7-dimethyl-3-(2-phenyl-1,3-thiazol-4-yl)chromen-4-one.
What is the SMILES notation for 6,7-dimethyl-3-(2-phenyl-1,3-thiazol-4-yl)chromen-4-one?
The canonical SMILES for 6,7-dimethyl-3-(2-phenyl-1,3-thiazol-4-yl)chromen-4-one is Cc1cc2occ(-c3csc(-c4ccccc4)n3)c(=O)c2cc1C.
What is the InChIKey of 6,7-dimethyl-3-(2-phenyl-1,3-thiazol-4-yl)chromen-4-one?
The InChIKey is JXOYPFAANZRLSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO2S/c1-12-8-15-18(9-13(12)2)23-10-16(19(15)22)17-11-24-20(21-17)14-6-4-3-5-7-14/h3-11H,1-2H3.
What are the key properties of 6,7-dimethyl-3-(2-phenyl-1,3-thiazol-4-yl)chromen-4-one?
6,7-dimethyl-3-(2-phenyl-1,3-thiazol-4-yl)chromen-4-one has a molecular weight of 333.41 g/mol, XLogP of 5.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-3-(2-phenyl-1,3-thiazol-4-yl)chromen-4-one is sourced from PubChem (CID 12753576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).