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

C12H7ClF3N5S — CID 176842775

IUPAC4-[1-[(5-chloropyrimidin-2-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole
SMILESFC(F)(F)c1cn(Cc2ncc(Cl)cn2)c(-c2cscn2)n1
InChIInChI=1S/C12H7ClF3N5S/c13-7-1-17-10(18-2-7)4-21-3-9(12(14,15)16)20-11(21)8-5-22-6-19-8/h1-3,5-6H,4H2
InChIKeyVRYYNRRDKKYOMD-UHFFFAOYSA-N
MW345.74 g/mol
LogP3.52
Rot. Bonds3

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

4-[1-[(5-chloropyrimidin-2-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole (PubChem CID 176842775) has the molecular formula C12H7ClF3N5S and a molecular weight of 345.74 g/mol. Its IUPAC name is 4-[1-[(5-chloropyrimidin-2-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-[1-[(5-chloropyrimidin-2-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole
PubChem CID176842775
Molecular FormulaC12H7ClF3N5S
Molecular Weight345.74 g/mol
Exact Mass345.01
IUPAC Name4-[1-[(5-chloropyrimidin-2-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole
SMILESFC(F)(F)c1cn(Cc2ncc(Cl)cn2)c(-c2cscn2)n1
InChIInChI=1S/C12H7ClF3N5S/c13-7-1-17-10(18-2-7)4-21-3-9(12(14,15)16)20-11(21)8-5-22-6-19-8/h1-3,5-6H,4H2
InChIKeyVRYYNRRDKKYOMD-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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Related Compounds

4-[1-Ethyl-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole
CID 22759831
2-[4-(1-Methylimidazol-2-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole
CID 90885050
2-(Difluoromethyl)-5-(4-methylsulfanylpyrimidin-2-yl)imidazo[2,1-b][1,3]thiazole
CID 139343758
5-(4-Chloropyrimidin-2-yl)-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole
CID 139343827
5-(4-Chloropyrimidin-2-yl)-2-(difluoromethyl)imidazo[2,1-b][1,3]thiazole
CID 139343844
5-(4-Methylsulfanylpyrimidin-2-yl)-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole
CID 139343883
4-[5-(Trifluoromethyl)pyrimidin-2-yl]-1,3-thiazole
CID 163362737
4-Chloro-5-[1-[(5-chloropyrimidin-2-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole
CID 170633041
2-Chloro-5-[1-[(5-chloropyrimidin-2-yl)methyl]-4-(difluoromethyl)imidazol-2-yl]-1,3-thiazole
CID 170633067
5-[1-[(5-Chloropyrimidin-2-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-2-fluoro-1,3-thiazole
CID 170633072
2,4-Dichloro-5-[1-[(5-chloropyrimidin-2-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole
CID 170633074
5-[1-[(5-Chloropyrimidin-2-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazole
CID 170633077

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(5-chloropyrimidin-2-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole?
The IUPAC name of 4-[1-[(5-chloropyrimidin-2-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole (CID 176842775) is 4-[1-[(5-chloropyrimidin-2-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole.
What is the SMILES notation for 4-[1-[(5-chloropyrimidin-2-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole?
The canonical SMILES for 4-[1-[(5-chloropyrimidin-2-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole is FC(F)(F)c1cn(Cc2ncc(Cl)cn2)c(-c2cscn2)n1.
What is the InChIKey of 4-[1-[(5-chloropyrimidin-2-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole?
The InChIKey is VRYYNRRDKKYOMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClF3N5S/c13-7-1-17-10(18-2-7)4-21-3-9(12(14,15)16)20-11(21)8-5-22-6-19-8/h1-3,5-6H,4H2.
What are the key properties of 4-[1-[(5-chloropyrimidin-2-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole?
4-[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 4-[1-[(5-chloropyrimidin-2-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole is sourced from PubChem (CID 176842775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).