2-(4-chloro-6-propan-2-ylpyrimidin-2-yl)-4-methyl-1,3-thiazole

C11H12ClN3S — CID 104770940

IUPAC2-(4-chloro-6-propan-2-ylpyrimidin-2-yl)-4-methyl-1,3-thiazole
SMILESCc1csc(-c2nc(Cl)cc(C(C)C)n2)n1
InChIInChI=1S/C11H12ClN3S/c1-6(2)8-4-9(12)15-10(14-8)11-13-7(3)5-16-11/h4-6H,1-3H3
InChIKeyVXVPKCQJYUKKQI-UHFFFAOYSA-N
MW253.76 g/mol
LogP3.69
Rot. Bonds2

About 2-(4-chloro-6-propan-2-ylpyrimidin-2-yl)-4-methyl-1,3-thiazole

2-(4-chloro-6-propan-2-ylpyrimidin-2-yl)-4-methyl-1,3-thiazole (PubChem CID 104770940) has the molecular formula C11H12ClN3S and a molecular weight of 253.76 g/mol. Its IUPAC name is 2-(4-chloro-6-propan-2-ylpyrimidin-2-yl)-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-(4-chloro-6-propan-2-ylpyrimidin-2-yl)-4-methyl-1,3-thiazole
PubChem CID104770940
Molecular FormulaC11H12ClN3S
Molecular Weight253.76 g/mol
Exact Mass253.04
IUPAC Name2-(4-chloro-6-propan-2-ylpyrimidin-2-yl)-4-methyl-1,3-thiazole
SMILESCc1csc(-c2nc(Cl)cc(C(C)C)n2)n1
InChIInChI=1S/C11H12ClN3S/c1-6(2)8-4-9(12)15-10(14-8)11-13-7(3)5-16-11/h4-6H,1-3H3
InChIKeyVXVPKCQJYUKKQI-UHFFFAOYSA-N
XLogP3.69
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.76
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-6-propan-2-ylpyrimidin-2-yl)-4-methyl-1,3-thiazole?
The IUPAC name of 2-(4-chloro-6-propan-2-ylpyrimidin-2-yl)-4-methyl-1,3-thiazole (CID 104770940) is 2-(4-chloro-6-propan-2-ylpyrimidin-2-yl)-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-(4-chloro-6-propan-2-ylpyrimidin-2-yl)-4-methyl-1,3-thiazole?
The canonical SMILES for 2-(4-chloro-6-propan-2-ylpyrimidin-2-yl)-4-methyl-1,3-thiazole is Cc1csc(-c2nc(Cl)cc(C(C)C)n2)n1.
What is the InChIKey of 2-(4-chloro-6-propan-2-ylpyrimidin-2-yl)-4-methyl-1,3-thiazole?
The InChIKey is VXVPKCQJYUKKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3S/c1-6(2)8-4-9(12)15-10(14-8)11-13-7(3)5-16-11/h4-6H,1-3H3.
What are the key properties of 2-(4-chloro-6-propan-2-ylpyrimidin-2-yl)-4-methyl-1,3-thiazole?
2-(4-chloro-6-propan-2-ylpyrimidin-2-yl)-4-methyl-1,3-thiazole has a molecular weight of 253.76 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-6-propan-2-ylpyrimidin-2-yl)-4-methyl-1,3-thiazole is sourced from PubChem (CID 104770940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).