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

C15H17NOS — CID 116890237

IUPAC1-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]propan-2-one
SMILESCC(=O)Cc1csc(-c2ccc(C(C)C)cc2)n1
InChIInChI=1S/C15H17NOS/c1-10(2)12-4-6-13(7-5-12)15-16-14(9-18-15)8-11(3)17/h4-7,9-10H,8H2,1-3H3
InChIKeyGKKVWQPXFBWGEG-UHFFFAOYSA-N
MW259.37 g/mol
LogP4.07
Rot. Bonds4

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

1-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]propan-2-one (PubChem CID 116890237) has the molecular formula C15H17NOS and a molecular weight of 259.37 g/mol. Its IUPAC name is 1-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]propan-2-one.

Molecular Properties

Compound Name1-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]propan-2-one
PubChem CID116890237
Molecular FormulaC15H17NOS
Molecular Weight259.37 g/mol
Exact Mass259.10
IUPAC Name1-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]propan-2-one
SMILESCC(=O)Cc1csc(-c2ccc(C(C)C)cc2)n1
InChIInChI=1S/C15H17NOS/c1-10(2)12-4-6-13(7-5-12)15-16-14(9-18-15)8-11(3)17/h4-7,9-10H,8H2,1-3H3
InChIKeyGKKVWQPXFBWGEG-UHFFFAOYSA-N
XLogP4.07
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]propan-2-one
CID 115089550
4-(chloromethyl)-2-(4-propan-2-ylphenyl)-1,3-thiazole
CID 2095697
cyanomethyl 2-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]acetate
CID 7804997
2-[methyl-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]amino]acetic acid
CID 119905952
4-(2-chloroethyl)-2-(4-propan-2-ylphenyl)-1,3-thiazole
CID 82091885
1-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]propan-2-one
CID 115089439
N-(2,4-dimethylphenyl)-2-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]acetamide
CID 8714383
[2-oxo-2-(pentan-3-ylamino)ethyl] 2-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]acetate
CID 7804977
N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]acetamide
CID 42569008
[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl 4-hydroxybenzoate
CID 7866808
1,3-benzodioxol-5-yl 2-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]acetate
CID 8766342
2-[cyclopropyl-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]amino]propanoic acid
CID 122100526

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]propan-2-one?
The IUPAC name of 1-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]propan-2-one (CID 116890237) is 1-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]propan-2-one.
What is the SMILES notation for 1-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]propan-2-one?
The canonical SMILES for 1-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]propan-2-one is CC(=O)Cc1csc(-c2ccc(C(C)C)cc2)n1.
What is the InChIKey of 1-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]propan-2-one?
The InChIKey is GKKVWQPXFBWGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOS/c1-10(2)12-4-6-13(7-5-12)15-16-14(9-18-15)8-11(3)17/h4-7,9-10H,8H2,1-3H3.
What are the key properties of 1-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]propan-2-one?
1-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]propan-2-one has a molecular weight of 259.37 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]propan-2-one is sourced from PubChem (CID 116890237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).