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

C13H16N2S — CID 167416986

IUPAC2-methyl-5-(4-methyl-3-propan-2-yl-2-pyridinyl)-1,3-thiazole
SMILESCc1ncc(-c2nccc(C)c2C(C)C)s1
InChIInChI=1S/C13H16N2S/c1-8(2)12-9(3)5-6-14-13(12)11-7-15-10(4)16-11/h5-8H,1-4H3
InChIKeyQEOJRPDDNCYHIY-UHFFFAOYSA-N
MW232.35 g/mol
LogP3.95
Rot. Bonds2

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

2-methyl-5-(4-methyl-3-propan-2-yl-2-pyridinyl)-1,3-thiazole (PubChem CID 167416986) has the molecular formula C13H16N2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 2-methyl-5-(4-methyl-3-propan-2-yl-2-pyridinyl)-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-5-(4-methyl-3-propan-2-yl-2-pyridinyl)-1,3-thiazole
PubChem CID167416986
Molecular FormulaC13H16N2S
Molecular Weight232.35 g/mol
Exact Mass232.10
IUPAC Name2-methyl-5-(4-methyl-3-propan-2-yl-2-pyridinyl)-1,3-thiazole
SMILESCc1ncc(-c2nccc(C)c2C(C)C)s1
InChIInChI=1S/C13H16N2S/c1-8(2)12-9(3)5-6-14-13(12)11-7-15-10(4)16-11/h5-8H,1-4H3
InChIKeyQEOJRPDDNCYHIY-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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(4-methyl-3-propan-2-yl-2-pyridinyl)-1,3-thiazole?
The IUPAC name of 2-methyl-5-(4-methyl-3-propan-2-yl-2-pyridinyl)-1,3-thiazole (CID 167416986) is 2-methyl-5-(4-methyl-3-propan-2-yl-2-pyridinyl)-1,3-thiazole.
What is the SMILES notation for 2-methyl-5-(4-methyl-3-propan-2-yl-2-pyridinyl)-1,3-thiazole?
The canonical SMILES for 2-methyl-5-(4-methyl-3-propan-2-yl-2-pyridinyl)-1,3-thiazole is Cc1ncc(-c2nccc(C)c2C(C)C)s1.
What is the InChIKey of 2-methyl-5-(4-methyl-3-propan-2-yl-2-pyridinyl)-1,3-thiazole?
The InChIKey is QEOJRPDDNCYHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S/c1-8(2)12-9(3)5-6-14-13(12)11-7-15-10(4)16-11/h5-8H,1-4H3.
What are the key properties of 2-methyl-5-(4-methyl-3-propan-2-yl-2-pyridinyl)-1,3-thiazole?
2-methyl-5-(4-methyl-3-propan-2-yl-2-pyridinyl)-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-methyl-5-(4-methyl-3-propan-2-yl-2-pyridinyl)-1,3-thiazole is sourced from PubChem (CID 167416986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).