4-[4-(2-methylphenyl)-1,3-thiazol-2-yl]butan-2-one

C14H15NOS — CID 116966479

IUPAC4-[4-(2-methylphenyl)-1,3-thiazol-2-yl]butan-2-one
SMILESCC(=O)CCc1nc(-c2ccccc2C)cs1
InChIInChI=1S/C14H15NOS/c1-10-5-3-4-6-12(10)13-9-17-14(15-13)8-7-11(2)16/h3-6,9H,7-8H2,1-2H3
InChIKeyGJVNTVXARIDORU-UHFFFAOYSA-N
MW245.35 g/mol
LogP3.64
Rot. Bonds4

About 4-[4-(2-methylphenyl)-1,3-thiazol-2-yl]butan-2-one

4-[4-(2-methylphenyl)-1,3-thiazol-2-yl]butan-2-one (PubChem CID 116966479) has the molecular formula C14H15NOS and a molecular weight of 245.35 g/mol. Its IUPAC name is 4-[4-(2-methylphenyl)-1,3-thiazol-2-yl]butan-2-one.

Molecular Properties

Compound Name4-[4-(2-methylphenyl)-1,3-thiazol-2-yl]butan-2-one
PubChem CID116966479
Molecular FormulaC14H15NOS
Molecular Weight245.35 g/mol
Exact Mass245.09
IUPAC Name4-[4-(2-methylphenyl)-1,3-thiazol-2-yl]butan-2-one
SMILESCC(=O)CCc1nc(-c2ccccc2C)cs1
InChIInChI=1S/C14H15NOS/c1-10-5-3-4-6-12(10)13-9-17-14(15-13)8-7-11(2)16/h3-6,9H,7-8H2,1-2H3
InChIKeyGJVNTVXARIDORU-UHFFFAOYSA-N
XLogP3.64
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 ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-phenyl-1,3-thiazol-2-yl)butan-2-one
CID 82115866
2-[4-(2-methylphenyl)-1,3-thiazol-2-yl]acetic acid
CID 3962693
4-[4-(2-methylphenyl)-1,3-thiazol-2-yl]butan-2-amine
CID 116965147
2-methyl-3-[4-(2-methylphenyl)-1,3-thiazol-2-yl]propanoic acid
CID 116965780
2-(3-methoxypropyl)-4-(2-methylphenyl)-1,3-thiazole
CID 86845405
4-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]butan-2-one
CID 82123007
[4-(2-methylphenyl)-1,3-thiazol-2-yl]methylhydrazine
CID 53275090
4-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]butan-2-one
CID 94281595
3-[4-(2-bromophenyl)-1,3-thiazol-2-yl]propanoic acid
CID 116965664
4-[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]butan-2-one
CID 116886465
2-[4-(2-methylphenyl)-1,3-thiazol-2-yl]butanoic acid
CID 116967198
N-(2,6-dimethylphenyl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
CID 110649752

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methylphenyl)-1,3-thiazol-2-yl]butan-2-one?
The IUPAC name of 4-[4-(2-methylphenyl)-1,3-thiazol-2-yl]butan-2-one (CID 116966479) is 4-[4-(2-methylphenyl)-1,3-thiazol-2-yl]butan-2-one.
What is the SMILES notation for 4-[4-(2-methylphenyl)-1,3-thiazol-2-yl]butan-2-one?
The canonical SMILES for 4-[4-(2-methylphenyl)-1,3-thiazol-2-yl]butan-2-one is CC(=O)CCc1nc(-c2ccccc2C)cs1.
What is the InChIKey of 4-[4-(2-methylphenyl)-1,3-thiazol-2-yl]butan-2-one?
The InChIKey is GJVNTVXARIDORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NOS/c1-10-5-3-4-6-12(10)13-9-17-14(15-13)8-7-11(2)16/h3-6,9H,7-8H2,1-2H3.
What are the key properties of 4-[4-(2-methylphenyl)-1,3-thiazol-2-yl]butan-2-one?
4-[4-(2-methylphenyl)-1,3-thiazol-2-yl]butan-2-one has a molecular weight of 245.35 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methylphenyl)-1,3-thiazol-2-yl]butan-2-one is sourced from PubChem (CID 116966479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).