2-methoxy-1-(2-phenyl-1,3-thiazol-4-yl)ethanone

C12H11NO2S — CID 130375597

IUPAC2-methoxy-1-(2-phenyl-1,3-thiazol-4-yl)ethanone
SMILESCOCC(=O)c1csc(-c2ccccc2)n1
InChIInChI=1S/C12H11NO2S/c1-15-7-11(14)10-8-16-12(13-10)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3
InChIKeyRJRHFUHOOFIYTA-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.64
Rot. Bonds4

About 2-methoxy-1-(2-phenyl-1,3-thiazol-4-yl)ethanone

2-methoxy-1-(2-phenyl-1,3-thiazol-4-yl)ethanone (PubChem CID 130375597) has the molecular formula C12H11NO2S and a molecular weight of 233.29 g/mol. Its IUPAC name is 2-methoxy-1-(2-phenyl-1,3-thiazol-4-yl)ethanone.

Molecular Properties

Compound Name2-methoxy-1-(2-phenyl-1,3-thiazol-4-yl)ethanone
PubChem CID130375597
Molecular FormulaC12H11NO2S
Molecular Weight233.29 g/mol
Exact Mass233.05
IUPAC Name2-methoxy-1-(2-phenyl-1,3-thiazol-4-yl)ethanone
SMILESCOCC(=O)c1csc(-c2ccccc2)n1
InChIInChI=1S/C12H11NO2S/c1-15-7-11(14)10-8-16-12(13-10)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3
InChIKeyRJRHFUHOOFIYTA-UHFFFAOYSA-N
XLogP2.64
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-phenyl-1,3-thiazole-4-carboxamide
CID 17398194
(Z)-2-(2-phenyl-1,3-thiazol-4-yl)but-2-enoic acid
CID 58657658
2-methoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]acetamide
CID 108739717
methyl 4-[[(2-phenyl-1,3-thiazole-4-carbonyl)amino]methyl]benzoate
CID 55386593
(2-fluorophenyl)-(2-phenyl-1,3-thiazol-4-yl)methanone
CID 25259516
2-phenyl-N-[(2R)-2-phenylpropyl]-1,3-thiazole-4-carboxamide
CID 9457088
[3-(hydroxymethyl)-4,5-dimethoxyphenyl]-(2-phenyl-1,3-thiazol-4-yl)methanone
CID 118216244
(2,5-dimethoxyphenyl)methyl 2-phenyl-1,3-thiazole-4-carboxylate
CID 8542842
N-(4,5-dimethoxy-2-methylphenyl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 51205352
methyl 2-(3-phenylmethoxyphenyl)-1,3-thiazole-4-carboxylate
CID 169498475
(NZ)-N-[(2-phenyl-1,3-thiazol-4-yl)-(3,4,5-trimethoxyphenyl)methylidene]hydroxylamine
CID 53364194
2,2-dimethyl-3-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]propanoic acid
CID 119249287

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(2-phenyl-1,3-thiazol-4-yl)ethanone?
The IUPAC name of 2-methoxy-1-(2-phenyl-1,3-thiazol-4-yl)ethanone (CID 130375597) is 2-methoxy-1-(2-phenyl-1,3-thiazol-4-yl)ethanone.
What is the SMILES notation for 2-methoxy-1-(2-phenyl-1,3-thiazol-4-yl)ethanone?
The canonical SMILES for 2-methoxy-1-(2-phenyl-1,3-thiazol-4-yl)ethanone is COCC(=O)c1csc(-c2ccccc2)n1.
What is the InChIKey of 2-methoxy-1-(2-phenyl-1,3-thiazol-4-yl)ethanone?
The InChIKey is RJRHFUHOOFIYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2S/c1-15-7-11(14)10-8-16-12(13-10)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3.
What are the key properties of 2-methoxy-1-(2-phenyl-1,3-thiazol-4-yl)ethanone?
2-methoxy-1-(2-phenyl-1,3-thiazol-4-yl)ethanone has a molecular weight of 233.29 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(2-phenyl-1,3-thiazol-4-yl)ethanone is sourced from PubChem (CID 130375597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).