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

C16H19NOS — CID 62794962

IUPAC1-(4-methyl-1,3-thiazol-2-yl)-3-(4-propan-2-ylphenyl)propan-2-one
SMILESCc1csc(CC(=O)Cc2ccc(C(C)C)cc2)n1
InChIInChI=1S/C16H19NOS/c1-11(2)14-6-4-13(5-7-14)8-15(18)9-16-17-12(3)10-19-16/h4-7,10-11H,8-9H2,1-3H3
InChIKeyGUVZZDNXSADYGR-UHFFFAOYSA-N
MW273.40 g/mol
LogP3.93
Rot. Bonds5

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

1-(4-methyl-1,3-thiazol-2-yl)-3-(4-propan-2-ylphenyl)propan-2-one (PubChem CID 62794962) has the molecular formula C16H19NOS and a molecular weight of 273.40 g/mol. Its IUPAC name is 1-(4-methyl-1,3-thiazol-2-yl)-3-(4-propan-2-ylphenyl)propan-2-one.

Molecular Properties

Compound Name1-(4-methyl-1,3-thiazol-2-yl)-3-(4-propan-2-ylphenyl)propan-2-one
PubChem CID62794962
Molecular FormulaC16H19NOS
Molecular Weight273.40 g/mol
Exact Mass273.12
IUPAC Name1-(4-methyl-1,3-thiazol-2-yl)-3-(4-propan-2-ylphenyl)propan-2-one
SMILESCc1csc(CC(=O)Cc2ccc(C(C)C)cc2)n1
InChIInChI=1S/C16H19NOS/c1-11(2)14-6-4-13(5-7-14)8-15(18)9-16-17-12(3)10-19-16/h4-7,10-11H,8-9H2,1-3H3
InChIKeyGUVZZDNXSADYGR-UHFFFAOYSA-N
XLogP3.93
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 53.93
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-(4-propan-2-ylphenyl)-3-(1,3-thiazol-2-yl)propan-2-one
CID 157253743
1-(3-chloro-4-fluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one
CID 103039345
1-(3-chlorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one
CID 62796005
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(4-propan-2-ylphenyl)propanamide
CID 47048123
1-(2,6-dichlorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one
CID 62795300
1-(2-methylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one
CID 62797378
1-(4-methyl-1,3-thiazol-2-yl)-3-propan-2-yloxypropan-2-one
CID 79567146
CID 131842856
CID 131842856
4-ethyl-1-(4-methyl-1,3-thiazol-2-yl)hexan-2-one
CID 82919513
4-amino-1-(4-methyl-1,3-thiazol-2-yl)-4-phenylbutan-2-one
CID 116553119
1-(4-methoxyphenyl)-3-(4-propan-2-ylphenyl)propan-2-one
CID 62620617

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-1,3-thiazol-2-yl)-3-(4-propan-2-ylphenyl)propan-2-one?
The IUPAC name of 1-(4-methyl-1,3-thiazol-2-yl)-3-(4-propan-2-ylphenyl)propan-2-one (CID 62794962) is 1-(4-methyl-1,3-thiazol-2-yl)-3-(4-propan-2-ylphenyl)propan-2-one.
What is the SMILES notation for 1-(4-methyl-1,3-thiazol-2-yl)-3-(4-propan-2-ylphenyl)propan-2-one?
The canonical SMILES for 1-(4-methyl-1,3-thiazol-2-yl)-3-(4-propan-2-ylphenyl)propan-2-one is Cc1csc(CC(=O)Cc2ccc(C(C)C)cc2)n1.
What is the InChIKey of 1-(4-methyl-1,3-thiazol-2-yl)-3-(4-propan-2-ylphenyl)propan-2-one?
The InChIKey is GUVZZDNXSADYGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NOS/c1-11(2)14-6-4-13(5-7-14)8-15(18)9-16-17-12(3)10-19-16/h4-7,10-11H,8-9H2,1-3H3.
What are the key properties of 1-(4-methyl-1,3-thiazol-2-yl)-3-(4-propan-2-ylphenyl)propan-2-one?
1-(4-methyl-1,3-thiazol-2-yl)-3-(4-propan-2-ylphenyl)propan-2-one has a molecular weight of 273.40 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-1,3-thiazol-2-yl)-3-(4-propan-2-ylphenyl)propan-2-one is sourced from PubChem (CID 62794962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).