2-[5-(2-methylpropyl)-2-pyridinyl]-1,3-thiazole

C12H14N2S — CID 20771962

IUPAC2-[5-(2-methylpropyl)-2-pyridinyl]-1,3-thiazole
SMILESCC(C)Cc1ccc(-c2nccs2)nc1
InChIInChI=1S/C12H14N2S/c1-9(2)7-10-3-4-11(14-8-10)12-13-5-6-15-12/h3-6,8-9H,7H2,1-2H3
InChIKeyIJXAGWOWBLLCRW-UHFFFAOYSA-N
MW218.32 g/mol
LogP3.40
Rot. Bonds3

About 2-[5-(2-methylpropyl)-2-pyridinyl]-1,3-thiazole

2-[5-(2-methylpropyl)-2-pyridinyl]-1,3-thiazole (PubChem CID 20771962) has the molecular formula C12H14N2S and a molecular weight of 218.32 g/mol. Its IUPAC name is 2-[5-(2-methylpropyl)-2-pyridinyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[5-(2-methylpropyl)-2-pyridinyl]-1,3-thiazole
PubChem CID20771962
Molecular FormulaC12H14N2S
Molecular Weight218.32 g/mol
Exact Mass218.09
IUPAC Name2-[5-(2-methylpropyl)-2-pyridinyl]-1,3-thiazole
SMILESCC(C)Cc1ccc(-c2nccs2)nc1
InChIInChI=1S/C12H14N2S/c1-9(2)7-10-3-4-11(14-8-10)12-13-5-6-15-12/h3-6,8-9H,7H2,1-2H3
InChIKeyIJXAGWOWBLLCRW-UHFFFAOYSA-N
XLogP3.40
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-(2-methylpropyl)-2-pyridinyl]-1,3,4-thiadiazole
CID 20771952
2-(4-methylphenyl)-5-(2-methylpropyl)pyridine
CID 71106004
5-(2-methylpropyl)-2-(2-methyltriazol-4-yl)pyridine
CID 138622767
N-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-amine
CID 177016308
acetic acid;6-(1,3-thiazol-2-yl)pyridin-3-amine
CID 174590691
2-(2-methylphenyl)-5-(2-methylpropyl)pyridine
CID 129095802
5-(2-methylbutyl)-2-thiophen-2-ylpyridine
CID 142831463
methane;5-(2-methylpropyl)-2-propan-2-ylpyridine
CID 158292296
5-[5-(2-methylpropyl)-2-pyridinyl]-1,3-oxazole
CID 163929053
2-[4-(1,3-thiazol-2-yl)phenyl]-1,3-thiazole
CID 901538
1-[4-(2-methylpropyl)phenyl]-2-(1,3-thiazol-2-ylsulfanyl)ethanamine
CID 64626293
N-(5-ethyl-2-pyridinyl)-6-(1,3-thiazol-2-yl)pyridin-2-amine
CID 69233935

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-methylpropyl)-2-pyridinyl]-1,3-thiazole?
The IUPAC name of 2-[5-(2-methylpropyl)-2-pyridinyl]-1,3-thiazole (CID 20771962) is 2-[5-(2-methylpropyl)-2-pyridinyl]-1,3-thiazole.
What is the SMILES notation for 2-[5-(2-methylpropyl)-2-pyridinyl]-1,3-thiazole?
The canonical SMILES for 2-[5-(2-methylpropyl)-2-pyridinyl]-1,3-thiazole is CC(C)Cc1ccc(-c2nccs2)nc1.
What is the InChIKey of 2-[5-(2-methylpropyl)-2-pyridinyl]-1,3-thiazole?
The InChIKey is IJXAGWOWBLLCRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2S/c1-9(2)7-10-3-4-11(14-8-10)12-13-5-6-15-12/h3-6,8-9H,7H2,1-2H3.
What are the key properties of 2-[5-(2-methylpropyl)-2-pyridinyl]-1,3-thiazole?
2-[5-(2-methylpropyl)-2-pyridinyl]-1,3-thiazole has a molecular weight of 218.32 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-methylpropyl)-2-pyridinyl]-1,3-thiazole is sourced from PubChem (CID 20771962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).