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

C14H15NOS — CID 105093182

IUPAC1-(2-methyl-1,3-thiazol-4-yl)-4-phenylbutan-1-one
SMILESCc1nc(C(=O)CCCc2ccccc2)cs1
InChIInChI=1S/C14H15NOS/c1-11-15-13(10-17-11)14(16)9-5-8-12-6-3-2-4-7-12/h2-4,6-7,10H,5,8-9H2,1H3
InChIKeyPJQKDWXZILRDAO-UHFFFAOYSA-N
MW245.35 g/mol
LogP3.66
Rot. Bonds5

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

1-(2-methyl-1,3-thiazol-4-yl)-4-phenylbutan-1-one (PubChem CID 105093182) has the molecular formula C14H15NOS and a molecular weight of 245.35 g/mol. Its IUPAC name is 1-(2-methyl-1,3-thiazol-4-yl)-4-phenylbutan-1-one.

Molecular Properties

Compound Name1-(2-methyl-1,3-thiazol-4-yl)-4-phenylbutan-1-one
PubChem CID105093182
Molecular FormulaC14H15NOS
Molecular Weight245.35 g/mol
Exact Mass245.09
IUPAC Name1-(2-methyl-1,3-thiazol-4-yl)-4-phenylbutan-1-one
SMILESCc1nc(C(=O)CCCc2ccccc2)cs1
InChIInChI=1S/C14H15NOS/c1-11-15-13(10-17-11)14(16)9-5-8-12-6-3-2-4-7-12/h2-4,6-7,10H,5,8-9H2,1H3
InChIKeyPJQKDWXZILRDAO-UHFFFAOYSA-N
XLogP3.66
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-phenylbutanamide
CID 2978695
1-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-3-phenylpropan-1-one
CID 116585753
1-(2-methylphenyl)-4-phenylbutan-1-one
CID 62621150
N,2-dimethyl-N-phenyl-1,3-thiazole-4-carboxamide
CID 110649635
1-(3-chlorothiophen-2-yl)-4-phenylbutan-1-one
CID 114969877
N-methyl-2-(3-phenylpropanoylamino)-1,3-thiazole-4-carboxamide
CID 16915593
2-[(4-methylphenyl)carbamoylamino]-N-(3-phenylpropyl)-1,3-thiazole-4-carboxamide
CID 16948332
5-phenylpentan-2-one
CID 16701
2-[5-(4-phenylphenyl)pentanoyl]-1,3-thiazole-4-carboxylic acid
CID 51041859
4-phenyl-1-trimethylsilylbutan-1-one
CID 11138658
N-(4-tert-butyl-1,3-thiazol-2-yl)-4-phenylbutanamide
CID 1223668
1-(3-methylphenyl)-4-phenylbutan-1-one
CID 54171094

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1,3-thiazol-4-yl)-4-phenylbutan-1-one?
The IUPAC name of 1-(2-methyl-1,3-thiazol-4-yl)-4-phenylbutan-1-one (CID 105093182) is 1-(2-methyl-1,3-thiazol-4-yl)-4-phenylbutan-1-one.
What is the SMILES notation for 1-(2-methyl-1,3-thiazol-4-yl)-4-phenylbutan-1-one?
The canonical SMILES for 1-(2-methyl-1,3-thiazol-4-yl)-4-phenylbutan-1-one is Cc1nc(C(=O)CCCc2ccccc2)cs1.
What is the InChIKey of 1-(2-methyl-1,3-thiazol-4-yl)-4-phenylbutan-1-one?
The InChIKey is PJQKDWXZILRDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NOS/c1-11-15-13(10-17-11)14(16)9-5-8-12-6-3-2-4-7-12/h2-4,6-7,10H,5,8-9H2,1H3.
What are the key properties of 1-(2-methyl-1,3-thiazol-4-yl)-4-phenylbutan-1-one?
1-(2-methyl-1,3-thiazol-4-yl)-4-phenylbutan-1-one has a molecular weight of 245.35 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1,3-thiazol-4-yl)-4-phenylbutan-1-one is sourced from PubChem (CID 105093182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).