2-(4-methylphenyl)-4-propyl-1,3-thiazole

C13H15NS — CID 115641441

IUPAC2-(4-methylphenyl)-4-propyl-1,3-thiazole
SMILESCCCc1csc(-c2ccc(C)cc2)n1
InChIInChI=1S/C13H15NS/c1-3-4-12-9-15-13(14-12)11-7-5-10(2)6-8-11/h5-9H,3-4H2,1-2H3
InChIKeySNQFFYUOWFRUHP-UHFFFAOYSA-N
MW217.34 g/mol
LogP4.07
Rot. Bonds3

About 2-(4-methylphenyl)-4-propyl-1,3-thiazole

2-(4-methylphenyl)-4-propyl-1,3-thiazole (PubChem CID 115641441) has the molecular formula C13H15NS and a molecular weight of 217.34 g/mol. Its IUPAC name is 2-(4-methylphenyl)-4-propyl-1,3-thiazole.

Molecular Properties

Compound Name2-(4-methylphenyl)-4-propyl-1,3-thiazole
PubChem CID115641441
Molecular FormulaC13H15NS
Molecular Weight217.34 g/mol
Exact Mass217.09
IUPAC Name2-(4-methylphenyl)-4-propyl-1,3-thiazole
SMILESCCCc1csc(-c2ccc(C)cc2)n1
InChIInChI=1S/C13H15NS/c1-3-4-12-9-15-13(14-12)11-7-5-10(2)6-8-11/h5-9H,3-4H2,1-2H3
InChIKeySNQFFYUOWFRUHP-UHFFFAOYSA-N
XLogP4.07
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.34
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluorophenyl)-4-propyl-1,3-thiazole
CID 115641443
2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanamine
CID 3799257
N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 60641301
4-[2-(4-methylphenyl)ethyl]-2-phenyl-1,3-thiazole
CID 155185709
2-(3,4-dimethoxyphenyl)-4-propyl-1,3-thiazole
CID 112692422
3-[2-(4-propylphenyl)-1,3-thiazol-4-yl]propanenitrile
CID 116890055
4-(2,3-dimethylbut-2-enyl)-2-(4-methylphenyl)-1,3-thiazole
CID 144794797
2-methyl-1-[2-(4-methylphenyl)-1,3-thiazol-4-yl]propan-2-amine
CID 116888227
[3-(4-propyl-1,3-thiazol-2-yl)phenyl]methanamine;hydrochloride
CID 120558535
2-(4-methylphenyl)-4-[(4-propylpiperazin-1-yl)methyl]-1,3-thiazole
CID 22196990
N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]methanesulfonamide
CID 51106179
4-(2-chloroethyl)-2-(4-ethylphenyl)-1,3-thiazole
CID 82087844

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-4-propyl-1,3-thiazole?
The IUPAC name of 2-(4-methylphenyl)-4-propyl-1,3-thiazole (CID 115641441) is 2-(4-methylphenyl)-4-propyl-1,3-thiazole.
What is the SMILES notation for 2-(4-methylphenyl)-4-propyl-1,3-thiazole?
The canonical SMILES for 2-(4-methylphenyl)-4-propyl-1,3-thiazole is CCCc1csc(-c2ccc(C)cc2)n1.
What is the InChIKey of 2-(4-methylphenyl)-4-propyl-1,3-thiazole?
The InChIKey is SNQFFYUOWFRUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NS/c1-3-4-12-9-15-13(14-12)11-7-5-10(2)6-8-11/h5-9H,3-4H2,1-2H3.
What are the key properties of 2-(4-methylphenyl)-4-propyl-1,3-thiazole?
2-(4-methylphenyl)-4-propyl-1,3-thiazole has a molecular weight of 217.34 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-4-propyl-1,3-thiazole is sourced from PubChem (CID 115641441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).