1-(4-methyl-1,3-thiazol-2-yl)-3-phenylpropan-2-one

C13H13NOS — CID 62795656

IUPAC1-(4-methyl-1,3-thiazol-2-yl)-3-phenylpropan-2-one
SMILESCc1csc(CC(=O)Cc2ccccc2)n1
InChIInChI=1S/C13H13NOS/c1-10-9-16-13(14-10)8-12(15)7-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3
InChIKeyXAIWQXDAVGLIMU-UHFFFAOYSA-N
MW231.32 g/mol
LogP2.81
Rot. Bonds4

About 1-(4-methyl-1,3-thiazol-2-yl)-3-phenylpropan-2-one

1-(4-methyl-1,3-thiazol-2-yl)-3-phenylpropan-2-one (PubChem CID 62795656) has the molecular formula C13H13NOS and a molecular weight of 231.32 g/mol. Its IUPAC name is 1-(4-methyl-1,3-thiazol-2-yl)-3-phenylpropan-2-one.

Molecular Properties

Compound Name1-(4-methyl-1,3-thiazol-2-yl)-3-phenylpropan-2-one
PubChem CID62795656
Molecular FormulaC13H13NOS
Molecular Weight231.32 g/mol
Exact Mass231.07
IUPAC Name1-(4-methyl-1,3-thiazol-2-yl)-3-phenylpropan-2-one
SMILESCc1csc(CC(=O)Cc2ccccc2)n1
InChIInChI=1S/C13H13NOS/c1-10-9-16-13(14-10)8-12(15)7-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3
InChIKeyXAIWQXDAVGLIMU-UHFFFAOYSA-N
XLogP2.81
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one
CID 62796005
1-(2-methylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one
CID 62797378
1-(4-methyl-1,3-thiazol-2-yl)-3-(4-propan-2-ylphenyl)propan-2-one
CID 62794962
CID 131842856
CID 131842856
4-amino-1-(4-methyl-1,3-thiazol-2-yl)-4-phenylbutan-2-one
CID 116553119
1-(2-methoxyphenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one
CID 62797036
1-(2,6-dichlorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one
CID 62795300
1-(2,3-difluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one
CID 62795128
1-(3-chloro-4-fluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one
CID 103039345
2-benzyl-4-methyl-1,3-thiazole;ethane
CID 91344843
1-(2,6-dimethyl-4-pyridinyl)-3-phenylpropan-2-one
CID 141325078
4-ethyl-1-(4-methyl-1,3-thiazol-2-yl)hexan-2-one
CID 82919513

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-1,3-thiazol-2-yl)-3-phenylpropan-2-one?
The IUPAC name of 1-(4-methyl-1,3-thiazol-2-yl)-3-phenylpropan-2-one (CID 62795656) is 1-(4-methyl-1,3-thiazol-2-yl)-3-phenylpropan-2-one.
What is the SMILES notation for 1-(4-methyl-1,3-thiazol-2-yl)-3-phenylpropan-2-one?
The canonical SMILES for 1-(4-methyl-1,3-thiazol-2-yl)-3-phenylpropan-2-one is Cc1csc(CC(=O)Cc2ccccc2)n1.
What is the InChIKey of 1-(4-methyl-1,3-thiazol-2-yl)-3-phenylpropan-2-one?
The InChIKey is XAIWQXDAVGLIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NOS/c1-10-9-16-13(14-10)8-12(15)7-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3.
What are the key properties of 1-(4-methyl-1,3-thiazol-2-yl)-3-phenylpropan-2-one?
1-(4-methyl-1,3-thiazol-2-yl)-3-phenylpropan-2-one has a molecular weight of 231.32 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-1,3-thiazol-2-yl)-3-phenylpropan-2-one is sourced from PubChem (CID 62795656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).