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

C14H15NOS — CID 62797378

IUPAC1-(2-methylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one
SMILESCc1csc(CC(=O)Cc2ccccc2C)n1
InChIInChI=1S/C14H15NOS/c1-10-5-3-4-6-12(10)7-13(16)8-14-15-11(2)9-17-14/h3-6,9H,7-8H2,1-2H3
InChIKeyAUAGQKXLIFIGPH-UHFFFAOYSA-N
MW245.35 g/mol
LogP3.11
Rot. Bonds4

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

1-(2-methylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one (PubChem CID 62797378) has the molecular formula C14H15NOS and a molecular weight of 245.35 g/mol. Its IUPAC name is 1-(2-methylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one.

Molecular Properties

Compound Name1-(2-methylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one
PubChem CID62797378
Molecular FormulaC14H15NOS
Molecular Weight245.35 g/mol
Exact Mass245.09
IUPAC Name1-(2-methylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one
SMILESCc1csc(CC(=O)Cc2ccccc2C)n1
InChIInChI=1S/C14H15NOS/c1-10-5-3-4-6-12(10)7-13(16)8-14-15-11(2)9-17-14/h3-6,9H,7-8H2,1-2H3
InChIKeyAUAGQKXLIFIGPH-UHFFFAOYSA-N
XLogP3.11
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methyl-1,3-thiazol-2-yl)-3-phenylpropan-2-one
CID 62795656
1-(2-methoxyphenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one
CID 62797036
1-(2,3-difluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one
CID 62795128
1-(2,6-dichlorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one
CID 62795300
CID 131842856
CID 131842856
N-(2,6-dimethylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 110484535
4-amino-1-(4-methyl-1,3-thiazol-2-yl)-4-phenylbutan-2-one
CID 116553119
1-(2-amino-1,3-thiazol-4-yl)-3-(2-methylphenyl)propan-2-one
CID 116575731
1-(3-chlorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one
CID 62796005
1-(4-methyl-1,3-thiazol-2-yl)-3-(4-propan-2-ylphenyl)propan-2-one
CID 62794962
1-(2-chloro-4-fluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one
CID 62796856
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-(2-methylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one?
The IUPAC name of 1-(2-methylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one (CID 62797378) is 1-(2-methylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one.
What is the SMILES notation for 1-(2-methylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one?
The canonical SMILES for 1-(2-methylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one is Cc1csc(CC(=O)Cc2ccccc2C)n1.
What is the InChIKey of 1-(2-methylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one?
The InChIKey is AUAGQKXLIFIGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NOS/c1-10-5-3-4-6-12(10)7-13(16)8-14-15-11(2)9-17-14/h3-6,9H,7-8H2,1-2H3.
What are the key properties of 1-(2-methylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one?
1-(2-methylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one has a molecular weight of 245.35 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one is sourced from PubChem (CID 62797378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).