4-methyl-5-(2-methylpropyl)-2-pyridin-4-yl-1,3-thiazole

C13H16N2S — CID 70910859

IUPAC4-methyl-5-(2-methylpropyl)-2-pyridin-4-yl-1,3-thiazole
SMILESCc1nc(-c2ccncc2)sc1CC(C)C
InChIInChI=1S/C13H16N2S/c1-9(2)8-12-10(3)15-13(16-12)11-4-6-14-7-5-11/h4-7,9H,8H2,1-3H3
InChIKeyLNDZEJJHONWGJQ-UHFFFAOYSA-N
MW232.35 g/mol
LogP3.71
Rot. Bonds3

About 4-methyl-5-(2-methylpropyl)-2-pyridin-4-yl-1,3-thiazole

4-methyl-5-(2-methylpropyl)-2-pyridin-4-yl-1,3-thiazole (PubChem CID 70910859) has the molecular formula C13H16N2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 4-methyl-5-(2-methylpropyl)-2-pyridin-4-yl-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-5-(2-methylpropyl)-2-pyridin-4-yl-1,3-thiazole
PubChem CID70910859
Molecular FormulaC13H16N2S
Molecular Weight232.35 g/mol
Exact Mass232.10
IUPAC Name4-methyl-5-(2-methylpropyl)-2-pyridin-4-yl-1,3-thiazole
SMILESCc1nc(-c2ccncc2)sc1CC(C)C
InChIInChI=1S/C13H16N2S/c1-9(2)8-12-10(3)15-13(16-12)11-4-6-14-7-5-11/h4-7,9H,8H2,1-3H3
InChIKeyLNDZEJJHONWGJQ-UHFFFAOYSA-N
XLogP3.71
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
CID 53369542
4,5-dimethyl-2-[4-(2-methylpropyl)phenyl]-1,3-thiazole
CID 116887615
N,N-diethyl-2-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)acetamide
CID 110329205
4-methyl-2-pyridin-4-yl-5-(pyrrolidin-2-ylmethyl)-1,3-thiazole
CID 116885170
2-(4-methylphenyl)-5-(2-methylpropyl)-1,3-thiazole-4-carbaldehyde
CID 89093505
N-(2,5-dimethylphenyl)-2-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)acetamide
CID 110329225
2-chloro-4-methyl-5-(2-methylpropyl)-1,3-thiazole
CID 130516681
2-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)-N-pentylacetamide
CID 110329211
(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanamine
CID 2795495
2-amino-3-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-1-ol
CID 170892960
2-methyl-N-[(4-methyl-2-pyrimidin-4-yl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 63990435
(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanamine
CID 62403368

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(2-methylpropyl)-2-pyridin-4-yl-1,3-thiazole?
The IUPAC name of 4-methyl-5-(2-methylpropyl)-2-pyridin-4-yl-1,3-thiazole (CID 70910859) is 4-methyl-5-(2-methylpropyl)-2-pyridin-4-yl-1,3-thiazole.
What is the SMILES notation for 4-methyl-5-(2-methylpropyl)-2-pyridin-4-yl-1,3-thiazole?
The canonical SMILES for 4-methyl-5-(2-methylpropyl)-2-pyridin-4-yl-1,3-thiazole is Cc1nc(-c2ccncc2)sc1CC(C)C.
What is the InChIKey of 4-methyl-5-(2-methylpropyl)-2-pyridin-4-yl-1,3-thiazole?
The InChIKey is LNDZEJJHONWGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S/c1-9(2)8-12-10(3)15-13(16-12)11-4-6-14-7-5-11/h4-7,9H,8H2,1-3H3.
What are the key properties of 4-methyl-5-(2-methylpropyl)-2-pyridin-4-yl-1,3-thiazole?
4-methyl-5-(2-methylpropyl)-2-pyridin-4-yl-1,3-thiazole has a molecular weight of 232.35 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(2-methylpropyl)-2-pyridin-4-yl-1,3-thiazole is sourced from PubChem (CID 70910859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).