2-[1-[(5-chloropyrimidin-2-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole

C12H7ClF3N5S — CID 176842806

IUPAC2-[1-[(5-chloropyrimidin-2-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole
SMILESFC(F)(F)c1cn(Cc2ncc(Cl)cn2)c(-c2nccs2)n1
InChIInChI=1S/C12H7ClF3N5S/c13-7-3-18-9(19-4-7)6-21-5-8(12(14,15)16)20-10(21)11-17-1-2-22-11/h1-5H,6H2
InChIKeySXKJSEWFXLWEEP-UHFFFAOYSA-N
MW345.74 g/mol
LogP3.52
Rot. Bonds3

About 2-[1-[(5-chloropyrimidin-2-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole

2-[1-[(5-chloropyrimidin-2-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole (PubChem CID 176842806) has the molecular formula C12H7ClF3N5S and a molecular weight of 345.74 g/mol. Its IUPAC name is 2-[1-[(5-chloropyrimidin-2-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[1-[(5-chloropyrimidin-2-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole
PubChem CID176842806
Molecular FormulaC12H7ClF3N5S
Molecular Weight345.74 g/mol
Exact Mass345.01
IUPAC Name2-[1-[(5-chloropyrimidin-2-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole
SMILESFC(F)(F)c1cn(Cc2ncc(Cl)cn2)c(-c2nccs2)n1
InChIInChI=1S/C12H7ClF3N5S/c13-7-3-18-9(19-4-7)6-21-5-8(12(14,15)16)20-10(21)11-17-1-2-22-11/h1-5H,6H2
InChIKeySXKJSEWFXLWEEP-UHFFFAOYSA-N
XLogP3.52
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.74
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5-chloropyrimidin-2-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole?
The IUPAC name of 2-[1-[(5-chloropyrimidin-2-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole (CID 176842806) is 2-[1-[(5-chloropyrimidin-2-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole.
What is the SMILES notation for 2-[1-[(5-chloropyrimidin-2-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole?
The canonical SMILES for 2-[1-[(5-chloropyrimidin-2-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole is FC(F)(F)c1cn(Cc2ncc(Cl)cn2)c(-c2nccs2)n1.
What is the InChIKey of 2-[1-[(5-chloropyrimidin-2-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole?
The InChIKey is SXKJSEWFXLWEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClF3N5S/c13-7-3-18-9(19-4-7)6-21-5-8(12(14,15)16)20-10(21)11-17-1-2-22-11/h1-5H,6H2.
What are the key properties of 2-[1-[(5-chloropyrimidin-2-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole?
2-[1-[(5-chloropyrimidin-2-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole has a molecular weight of 345.74 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5-chloropyrimidin-2-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole is sourced from PubChem (CID 176842806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).