4-(5-methyl-1,3-thiazol-2-yl)-4-phenylbutan-2-one

C14H15NOS — CID 174635497

IUPAC4-(5-methyl-1,3-thiazol-2-yl)-4-phenylbutan-2-one
SMILESCC(=O)CC(c1ccccc1)c1ncc(C)s1
InChIInChI=1S/C14H15NOS/c1-10(16)8-13(12-6-4-3-5-7-12)14-15-9-11(2)17-14/h3-7,9,13H,8H2,1-2H3
InChIKeyYSYADFTWGNYCJR-UHFFFAOYSA-N
MW245.35 g/mol
LogP3.56
Rot. Bonds4

About 4-(5-methyl-1,3-thiazol-2-yl)-4-phenylbutan-2-one

4-(5-methyl-1,3-thiazol-2-yl)-4-phenylbutan-2-one (PubChem CID 174635497) has the molecular formula C14H15NOS and a molecular weight of 245.35 g/mol. Its IUPAC name is 4-(5-methyl-1,3-thiazol-2-yl)-4-phenylbutan-2-one.

Molecular Properties

Compound Name4-(5-methyl-1,3-thiazol-2-yl)-4-phenylbutan-2-one
PubChem CID174635497
Molecular FormulaC14H15NOS
Molecular Weight245.35 g/mol
Exact Mass245.09
IUPAC Name4-(5-methyl-1,3-thiazol-2-yl)-4-phenylbutan-2-one
SMILESCC(=O)CC(c1ccccc1)c1ncc(C)s1
InChIInChI=1S/C14H15NOS/c1-10(16)8-13(12-6-4-3-5-7-12)14-15-9-11(2)17-14/h3-7,9,13H,8H2,1-2H3
InChIKeyYSYADFTWGNYCJR-UHFFFAOYSA-N
XLogP3.56
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 ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-fluoro-5-(2-fluorophenyl)phenyl]-3-(5-methyl-1,3-thiazol-2-yl)propanoic acid
CID 118533527
1-(2-hydroxy-1-phenylethyl)-3-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 111840994
3-[3-chloro-5-(2,6-dimethoxyphenyl)phenyl]-3-(5-methyl-1,3-thiazol-2-yl)propanoic acid
CID 86281676
3-amino-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-phenylpropanamide;dihydrochloride
CID 119898098
(4S)-4-hydroxy-4-phenylbutan-2-one
CID 10888260
3-[3-(2-carbamoylphenyl)-5-fluorophenyl]-3-(5-methyl-1,3-thiazol-2-yl)propanoic acid
CID 118533563
4-phenyl-4-(2,4,6-trimethylphenyl)butan-2-one
CID 102313835
(4R)-4-(2-methyl-1H-indol-3-yl)-4-phenylbutan-2-one
CID 101252963
(3R)-3-acetamido-N-(5-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide
CID 9451642
(4S,5S)-4-methyl-5-phenylhexan-2-one
CID 102392446
(4R)-5-fluoro-4-phenylpentan-2-one
CID 101477163
1-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-(2-hydroxy-1-phenylethyl)urea
CID 111508037

Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-1,3-thiazol-2-yl)-4-phenylbutan-2-one?
The IUPAC name of 4-(5-methyl-1,3-thiazol-2-yl)-4-phenylbutan-2-one (CID 174635497) is 4-(5-methyl-1,3-thiazol-2-yl)-4-phenylbutan-2-one.
What is the SMILES notation for 4-(5-methyl-1,3-thiazol-2-yl)-4-phenylbutan-2-one?
The canonical SMILES for 4-(5-methyl-1,3-thiazol-2-yl)-4-phenylbutan-2-one is CC(=O)CC(c1ccccc1)c1ncc(C)s1.
What is the InChIKey of 4-(5-methyl-1,3-thiazol-2-yl)-4-phenylbutan-2-one?
The InChIKey is YSYADFTWGNYCJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NOS/c1-10(16)8-13(12-6-4-3-5-7-12)14-15-9-11(2)17-14/h3-7,9,13H,8H2,1-2H3.
What are the key properties of 4-(5-methyl-1,3-thiazol-2-yl)-4-phenylbutan-2-one?
4-(5-methyl-1,3-thiazol-2-yl)-4-phenylbutan-2-one has a molecular weight of 245.35 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-1,3-thiazol-2-yl)-4-phenylbutan-2-one is sourced from PubChem (CID 174635497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).