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

C12H6Cl2F3N5S — CID 176842812

IUPAC2-chloro-5-[1-[(5-chloropyrimidin-2-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole
SMILESFC(F)(F)c1cn(Cc2ncc(Cl)cn2)c(-c2cnc(Cl)s2)n1
InChIInChI=1S/C12H6Cl2F3N5S/c13-6-1-18-9(19-2-6)5-22-4-8(12(15,16)17)21-10(22)7-3-20-11(14)23-7/h1-4H,5H2
InChIKeyXLPXSQREBLACRE-UHFFFAOYSA-N
MW380.18 g/mol
LogP4.17
Rot. Bonds3

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

2-chloro-5-[1-[(5-chloropyrimidin-2-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole (PubChem CID 176842812) has the molecular formula C12H6Cl2F3N5S and a molecular weight of 380.18 g/mol. Its IUPAC name is 2-chloro-5-[1-[(5-chloropyrimidin-2-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-5-[1-[(5-chloropyrimidin-2-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole
PubChem CID176842812
Molecular FormulaC12H6Cl2F3N5S
Molecular Weight380.18 g/mol
Exact Mass378.97
IUPAC Name2-chloro-5-[1-[(5-chloropyrimidin-2-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole
SMILESFC(F)(F)c1cn(Cc2ncc(Cl)cn2)c(-c2cnc(Cl)s2)n1
InChIInChI=1S/C12H6Cl2F3N5S/c13-6-1-18-9(19-2-6)5-22-4-8(12(15,16)17)21-10(22)7-3-20-11(14)23-7/h1-4H,5H2
InChIKeyXLPXSQREBLACRE-UHFFFAOYSA-N
XLogP4.17
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.18
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[1-[(5-chloropyrimidin-2-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole?
The IUPAC name of 2-chloro-5-[1-[(5-chloropyrimidin-2-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole (CID 176842812) is 2-chloro-5-[1-[(5-chloropyrimidin-2-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole.
What is the SMILES notation for 2-chloro-5-[1-[(5-chloropyrimidin-2-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole?
The canonical SMILES for 2-chloro-5-[1-[(5-chloropyrimidin-2-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole is FC(F)(F)c1cn(Cc2ncc(Cl)cn2)c(-c2cnc(Cl)s2)n1.
What is the InChIKey of 2-chloro-5-[1-[(5-chloropyrimidin-2-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole?
The InChIKey is XLPXSQREBLACRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl2F3N5S/c13-6-1-18-9(19-2-6)5-22-4-8(12(15,16)17)21-10(22)7-3-20-11(14)23-7/h1-4H,5H2.
What are the key properties of 2-chloro-5-[1-[(5-chloropyrimidin-2-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole?
2-chloro-5-[1-[(5-chloropyrimidin-2-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole has a molecular weight of 380.18 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[1-[(5-chloropyrimidin-2-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole is sourced from PubChem (CID 176842812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).