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

C14H16N2OS — CID 116553119

IUPAC4-amino-1-(4-methyl-1,3-thiazol-2-yl)-4-phenylbutan-2-one
SMILESCc1csc(CC(=O)CC(N)c2ccccc2)n1
InChIInChI=1S/C14H16N2OS/c1-10-9-18-14(16-10)8-12(17)7-13(15)11-5-3-2-4-6-11/h2-6,9,13H,7-8,15H2,1H3
InChIKeyAZIOFLIUPKLVRL-UHFFFAOYSA-N
MW260.36 g/mol
LogP2.65
Rot. Bonds5

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

4-amino-1-(4-methyl-1,3-thiazol-2-yl)-4-phenylbutan-2-one (PubChem CID 116553119) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is 4-amino-1-(4-methyl-1,3-thiazol-2-yl)-4-phenylbutan-2-one.

Molecular Properties

Compound Name4-amino-1-(4-methyl-1,3-thiazol-2-yl)-4-phenylbutan-2-one
PubChem CID116553119
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name4-amino-1-(4-methyl-1,3-thiazol-2-yl)-4-phenylbutan-2-one
SMILESCc1csc(CC(=O)CC(N)c2ccccc2)n1
InChIInChI=1S/C14H16N2OS/c1-10-9-18-14(16-10)8-12(17)7-13(15)11-5-3-2-4-6-11/h2-6,9,13H,7-8,15H2,1H3
InChIKeyAZIOFLIUPKLVRL-UHFFFAOYSA-N
XLogP2.65
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-4-phenyl-1-(1,3-thiazol-2-yl)butan-2-one
CID 116552998
1-(4-methyl-1,3-thiazol-2-yl)-3-phenylpropan-2-one
CID 62795656
4-ethyl-1-(4-methyl-1,3-thiazol-2-yl)hexan-2-one
CID 82919513
1-(2-methylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one
CID 62797378
CID 131842856
CID 131842856
[2-[2-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]hydrazinyl]-2-oxoethyl] 2-phenylbutanoate
CID 55443881
3-amino-N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide;hydrochloride
CID 119951862
1-(2,6-dichlorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one
CID 62795300
1-(4-methyl-1,3-thiazol-2-yl)-3-(4-propan-2-ylphenyl)propan-2-one
CID 62794962
2-amino-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-phenylacetamide
CID 55175614
1-(2-methoxyphenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one
CID 62797036
4-amino-1-(3,4-dimethylphenyl)-4-phenylbutan-2-one
CID 116553095

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(4-methyl-1,3-thiazol-2-yl)-4-phenylbutan-2-one?
The IUPAC name of 4-amino-1-(4-methyl-1,3-thiazol-2-yl)-4-phenylbutan-2-one (CID 116553119) is 4-amino-1-(4-methyl-1,3-thiazol-2-yl)-4-phenylbutan-2-one.
What is the SMILES notation for 4-amino-1-(4-methyl-1,3-thiazol-2-yl)-4-phenylbutan-2-one?
The canonical SMILES for 4-amino-1-(4-methyl-1,3-thiazol-2-yl)-4-phenylbutan-2-one is Cc1csc(CC(=O)CC(N)c2ccccc2)n1.
What is the InChIKey of 4-amino-1-(4-methyl-1,3-thiazol-2-yl)-4-phenylbutan-2-one?
The InChIKey is AZIOFLIUPKLVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-10-9-18-14(16-10)8-12(17)7-13(15)11-5-3-2-4-6-11/h2-6,9,13H,7-8,15H2,1H3.
What are the key properties of 4-amino-1-(4-methyl-1,3-thiazol-2-yl)-4-phenylbutan-2-one?
4-amino-1-(4-methyl-1,3-thiazol-2-yl)-4-phenylbutan-2-one has a molecular weight of 260.36 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(4-methyl-1,3-thiazol-2-yl)-4-phenylbutan-2-one is sourced from PubChem (CID 116553119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).