4-(2-methylbutan-2-yl)-2-pyridin-4-yl-1,3-thiazole

C13H16N2S — CID 70810015

IUPAC4-(2-methylbutan-2-yl)-2-pyridin-4-yl-1,3-thiazole
SMILESCCC(C)(C)c1csc(-c2ccncc2)n1
InChIInChI=1S/C13H16N2S/c1-4-13(2,3)11-9-16-12(15-11)10-5-7-14-8-6-10/h5-9H,4H2,1-3H3
InChIKeyCYNZFECVVCQTEM-UHFFFAOYSA-N
MW232.35 g/mol
LogP3.89
Rot. Bonds3

About 4-(2-methylbutan-2-yl)-2-pyridin-4-yl-1,3-thiazole

4-(2-methylbutan-2-yl)-2-pyridin-4-yl-1,3-thiazole (PubChem CID 70810015) has the molecular formula C13H16N2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 4-(2-methylbutan-2-yl)-2-pyridin-4-yl-1,3-thiazole.

Molecular Properties

Compound Name4-(2-methylbutan-2-yl)-2-pyridin-4-yl-1,3-thiazole
PubChem CID70810015
Molecular FormulaC13H16N2S
Molecular Weight232.35 g/mol
Exact Mass232.10
IUPAC Name4-(2-methylbutan-2-yl)-2-pyridin-4-yl-1,3-thiazole
SMILESCCC(C)(C)c1csc(-c2ccncc2)n1
InChIInChI=1S/C13H16N2S/c1-4-13(2,3)11-9-16-12(15-11)10-5-7-14-8-6-10/h5-9H,4H2,1-3H3
InChIKeyCYNZFECVVCQTEM-UHFFFAOYSA-N
XLogP3.89
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 ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylbutan-2-yl)-2-pyridin-4-yl-1,3-thiazole?
The IUPAC name of 4-(2-methylbutan-2-yl)-2-pyridin-4-yl-1,3-thiazole (CID 70810015) is 4-(2-methylbutan-2-yl)-2-pyridin-4-yl-1,3-thiazole.
What is the SMILES notation for 4-(2-methylbutan-2-yl)-2-pyridin-4-yl-1,3-thiazole?
The canonical SMILES for 4-(2-methylbutan-2-yl)-2-pyridin-4-yl-1,3-thiazole is CCC(C)(C)c1csc(-c2ccncc2)n1.
What is the InChIKey of 4-(2-methylbutan-2-yl)-2-pyridin-4-yl-1,3-thiazole?
The InChIKey is CYNZFECVVCQTEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S/c1-4-13(2,3)11-9-16-12(15-11)10-5-7-14-8-6-10/h5-9H,4H2,1-3H3.
What are the key properties of 4-(2-methylbutan-2-yl)-2-pyridin-4-yl-1,3-thiazole?
4-(2-methylbutan-2-yl)-2-pyridin-4-yl-1,3-thiazole has a molecular weight of 232.35 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylbutan-2-yl)-2-pyridin-4-yl-1,3-thiazole is sourced from PubChem (CID 70810015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).