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

C12H5Cl3F3N5S — CID 170633074

IUPAC2,4-dichloro-5-[1-[(5-chloropyrimidin-2-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole
SMILESFC(F)(F)c1cn(Cc2ncc(Cl)cn2)c(-c2sc(Cl)nc2Cl)n1
InChIInChI=1S/C12H5Cl3F3N5S/c13-5-1-19-7(20-2-5)4-23-3-6(12(16,17)18)21-10(23)8-9(14)22-11(15)24-8/h1-3H,4H2
InChIKeyCWIRRIKITACQNP-UHFFFAOYSA-N
MW414.63 g/mol
LogP4.82
Rot. Bonds3

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

2,4-dichloro-5-[1-[(5-chloropyrimidin-2-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole (PubChem CID 170633074) has the molecular formula C12H5Cl3F3N5S and a molecular weight of 414.63 g/mol. Its IUPAC name is 2,4-dichloro-5-[1-[(5-chloropyrimidin-2-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name2,4-dichloro-5-[1-[(5-chloropyrimidin-2-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole
PubChem CID170633074
Molecular FormulaC12H5Cl3F3N5S
Molecular Weight414.63 g/mol
Exact Mass412.93
IUPAC Name2,4-dichloro-5-[1-[(5-chloropyrimidin-2-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole
SMILESFC(F)(F)c1cn(Cc2ncc(Cl)cn2)c(-c2sc(Cl)nc2Cl)n1
InChIInChI=1S/C12H5Cl3F3N5S/c13-5-1-19-7(20-2-5)4-23-3-6(12(16,17)18)21-10(23)8-9(14)22-11(15)24-8/h1-3H,4H2
InChIKeyCWIRRIKITACQNP-UHFFFAOYSA-N
XLogP4.82
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.63
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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
4-Chloro-5-[1-[(5-chloropyrimidin-2-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole
CID 170633041
5-Chloro-2-[[2-(3-methylimidazol-4-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine
CID 170633062
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
5-[1-[(5-Chloropyrimidin-2-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazole
CID 170633077
2-Chloro-4-[1-[(5-chloropyrimidin-2-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole
CID 176842766
4-[1-[(5-Chloropyrimidin-2-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole
CID 176842775
5-Chloro-2-[[2-(2-chloro-3-methylimidazol-4-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine
CID 176842781
5-Chloro-2-[[2-(2-chloro-1-methylimidazol-4-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine
CID 176842796
2-[1-[(5-Chloropyrimidin-2-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole
CID 176842806

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-[1-[(5-chloropyrimidin-2-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole?
The IUPAC name of 2,4-dichloro-5-[1-[(5-chloropyrimidin-2-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole (CID 170633074) is 2,4-dichloro-5-[1-[(5-chloropyrimidin-2-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole.
What is the SMILES notation for 2,4-dichloro-5-[1-[(5-chloropyrimidin-2-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole?
The canonical SMILES for 2,4-dichloro-5-[1-[(5-chloropyrimidin-2-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole is FC(F)(F)c1cn(Cc2ncc(Cl)cn2)c(-c2sc(Cl)nc2Cl)n1.
What is the InChIKey of 2,4-dichloro-5-[1-[(5-chloropyrimidin-2-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole?
The InChIKey is CWIRRIKITACQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5Cl3F3N5S/c13-5-1-19-7(20-2-5)4-23-3-6(12(16,17)18)21-10(23)8-9(14)22-11(15)24-8/h1-3H,4H2.
What are the key properties of 2,4-dichloro-5-[1-[(5-chloropyrimidin-2-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole?
2,4-dichloro-5-[1-[(5-chloropyrimidin-2-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole has a molecular weight of 414.63 g/mol, XLogP of 4.82, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-[1-[(5-chloropyrimidin-2-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole is sourced from PubChem (CID 170633074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).