2-(4-chloro-6-methylpyrimidin-2-yl)-4-(trifluoromethyl)-1,3-thiazole

C9H5ClF3N3S — CID 90877695

IUPAC2-(4-chloro-6-methylpyrimidin-2-yl)-4-(trifluoromethyl)-1,3-thiazole
SMILESCc1cc(Cl)nc(-c2nc(C(F)(F)F)cs2)n1
InChIInChI=1S/C9H5ClF3N3S/c1-4-2-6(10)16-7(14-4)8-15-5(3-17-8)9(11,12)13/h2-3H,1H3
InChIKeyMKTSXWHVBIYTKN-UHFFFAOYSA-N
MW279.67 g/mol
LogP3.58
Rot. Bonds1

About 2-(4-chloro-6-methylpyrimidin-2-yl)-4-(trifluoromethyl)-1,3-thiazole

2-(4-chloro-6-methylpyrimidin-2-yl)-4-(trifluoromethyl)-1,3-thiazole (PubChem CID 90877695) has the molecular formula C9H5ClF3N3S and a molecular weight of 279.67 g/mol. Its IUPAC name is 2-(4-chloro-6-methylpyrimidin-2-yl)-4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(4-chloro-6-methylpyrimidin-2-yl)-4-(trifluoromethyl)-1,3-thiazole
PubChem CID90877695
Molecular FormulaC9H5ClF3N3S
Molecular Weight279.67 g/mol
Exact Mass278.98
IUPAC Name2-(4-chloro-6-methylpyrimidin-2-yl)-4-(trifluoromethyl)-1,3-thiazole
SMILESCc1cc(Cl)nc(-c2nc(C(F)(F)F)cs2)n1
InChIInChI=1S/C9H5ClF3N3S/c1-4-2-6(10)16-7(14-4)8-15-5(3-17-8)9(11,12)13/h2-3H,1H3
InChIKeyMKTSXWHVBIYTKN-UHFFFAOYSA-N
XLogP3.58
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.67
LogP ≤ 53.58
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-methylpyrimidin-2-yl)-4-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 2-(4-chloro-6-methylpyrimidin-2-yl)-4-(trifluoromethyl)-1,3-thiazole (CID 90877695) is 2-(4-chloro-6-methylpyrimidin-2-yl)-4-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 2-(4-chloro-6-methylpyrimidin-2-yl)-4-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 2-(4-chloro-6-methylpyrimidin-2-yl)-4-(trifluoromethyl)-1,3-thiazole is Cc1cc(Cl)nc(-c2nc(C(F)(F)F)cs2)n1.
What is the InChIKey of 2-(4-chloro-6-methylpyrimidin-2-yl)-4-(trifluoromethyl)-1,3-thiazole?
The InChIKey is MKTSXWHVBIYTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClF3N3S/c1-4-2-6(10)16-7(14-4)8-15-5(3-17-8)9(11,12)13/h2-3H,1H3.
What are the key properties of 2-(4-chloro-6-methylpyrimidin-2-yl)-4-(trifluoromethyl)-1,3-thiazole?
2-(4-chloro-6-methylpyrimidin-2-yl)-4-(trifluoromethyl)-1,3-thiazole has a molecular weight of 279.67 g/mol, XLogP of 3.58, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-6-methylpyrimidin-2-yl)-4-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 90877695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).