2-(2,6-dimethyl-4-pyridinyl)-5-propan-2-yl-1,3-thiazole

C13H16N2S — CID 107504782

IUPAC2-(2,6-dimethyl-4-pyridinyl)-5-propan-2-yl-1,3-thiazole
SMILESCc1cc(-c2ncc(C(C)C)s2)cc(C)n1
InChIInChI=1S/C13H16N2S/c1-8(2)12-7-14-13(16-12)11-5-9(3)15-10(4)6-11/h5-8H,1-4H3
InChIKeyBAUUYSSESCURTA-UHFFFAOYSA-N
MW232.35 g/mol
LogP3.95
Rot. Bonds2

About 2-(2,6-dimethyl-4-pyridinyl)-5-propan-2-yl-1,3-thiazole

2-(2,6-dimethyl-4-pyridinyl)-5-propan-2-yl-1,3-thiazole (PubChem CID 107504782) has the molecular formula C13H16N2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 2-(2,6-dimethyl-4-pyridinyl)-5-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2-(2,6-dimethyl-4-pyridinyl)-5-propan-2-yl-1,3-thiazole
PubChem CID107504782
Molecular FormulaC13H16N2S
Molecular Weight232.35 g/mol
Exact Mass232.10
IUPAC Name2-(2,6-dimethyl-4-pyridinyl)-5-propan-2-yl-1,3-thiazole
SMILESCc1cc(-c2ncc(C(C)C)s2)cc(C)n1
InChIInChI=1S/C13H16N2S/c1-8(2)12-7-14-13(16-12)11-5-9(3)15-10(4)6-11/h5-8H,1-4H3
InChIKeyBAUUYSSESCURTA-UHFFFAOYSA-N
XLogP3.95
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-dichlorophenyl)-5-propan-2-yl-1,3-thiazole
CID 107918368
N-[[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 107504208
2-(4-ethylsulfanylphenyl)-5-propan-2-yl-1,3-thiazole
CID 106850212
1-[2-(4-methylphenyl)-1,3-thiazol-5-yl]ethanol
CID 62651208
5-propan-2-yl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole
CID 113415724
N-[[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 107504207
N-methyl-1-[2-(6-methyl-3-pyridinyl)-1,3-thiazol-5-yl]ethanamine
CID 104823163
5-(3,3-dimethylbutan-2-yl)-2-(6-methyl-3-pyridinyl)-1,3-thiazole
CID 130390654
1-[2-(3,5-dichlorophenyl)-1,3-thiazol-5-yl]ethanamine
CID 62652845
1-[2-(3,5-dimethylphenyl)-1,3-thiazol-5-yl]-N-ethylethanamine
CID 55102445
1-[2-(3-fluoro-4-methylphenyl)-1,3-thiazol-5-yl]ethanol
CID 62653769
2,6-dimethyl-4-(4-propan-2-ylphenyl)pyridine
CID 176864859

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethyl-4-pyridinyl)-5-propan-2-yl-1,3-thiazole?
The IUPAC name of 2-(2,6-dimethyl-4-pyridinyl)-5-propan-2-yl-1,3-thiazole (CID 107504782) is 2-(2,6-dimethyl-4-pyridinyl)-5-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 2-(2,6-dimethyl-4-pyridinyl)-5-propan-2-yl-1,3-thiazole?
The canonical SMILES for 2-(2,6-dimethyl-4-pyridinyl)-5-propan-2-yl-1,3-thiazole is Cc1cc(-c2ncc(C(C)C)s2)cc(C)n1.
What is the InChIKey of 2-(2,6-dimethyl-4-pyridinyl)-5-propan-2-yl-1,3-thiazole?
The InChIKey is BAUUYSSESCURTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S/c1-8(2)12-7-14-13(16-12)11-5-9(3)15-10(4)6-11/h5-8H,1-4H3.
What are the key properties of 2-(2,6-dimethyl-4-pyridinyl)-5-propan-2-yl-1,3-thiazole?
2-(2,6-dimethyl-4-pyridinyl)-5-propan-2-yl-1,3-thiazole has a molecular weight of 232.35 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethyl-4-pyridinyl)-5-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 107504782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).