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

C13H9ClF3N5S — CID 170633077

IUPAC5-[1-[(5-chloropyrimidin-2-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazole
SMILESCc1ncsc1-c1nc(C(F)(F)F)cn1Cc1ncc(Cl)cn1
InChIInChI=1S/C13H9ClF3N5S/c1-7-11(23-6-20-7)12-21-9(13(15,16)17)4-22(12)5-10-18-2-8(14)3-19-10/h2-4,6H,5H2,1H3
InChIKeyBHCLRTJPVGTLJH-UHFFFAOYSA-N
MW359.76 g/mol
LogP3.83
Rot. Bonds3

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

5-[1-[(5-chloropyrimidin-2-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazole (PubChem CID 170633077) has the molecular formula C13H9ClF3N5S and a molecular weight of 359.76 g/mol. Its IUPAC name is 5-[1-[(5-chloropyrimidin-2-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-[1-[(5-chloropyrimidin-2-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazole
PubChem CID170633077
Molecular FormulaC13H9ClF3N5S
Molecular Weight359.76 g/mol
Exact Mass359.02
IUPAC Name5-[1-[(5-chloropyrimidin-2-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazole
SMILESCc1ncsc1-c1nc(C(F)(F)F)cn1Cc1ncc(Cl)cn1
InChIInChI=1S/C13H9ClF3N5S/c1-7-11(23-6-20-7)12-21-9(13(15,16)17)4-22(12)5-10-18-2-8(14)3-19-10/h2-4,6H,5H2,1H3
InChIKeyBHCLRTJPVGTLJH-UHFFFAOYSA-N
XLogP3.83
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.76
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-ethyl-4-{1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-imidazol-2-yl}pyrimidine
CID 56872847
6-(1-Methylimidazol-2-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine
CID 70843562
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
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
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

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(5-chloropyrimidin-2-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazole?
The IUPAC name of 5-[1-[(5-chloropyrimidin-2-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazole (CID 170633077) is 5-[1-[(5-chloropyrimidin-2-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 5-[1-[(5-chloropyrimidin-2-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazole?
The canonical SMILES for 5-[1-[(5-chloropyrimidin-2-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazole is Cc1ncsc1-c1nc(C(F)(F)F)cn1Cc1ncc(Cl)cn1.
What is the InChIKey of 5-[1-[(5-chloropyrimidin-2-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazole?
The InChIKey is BHCLRTJPVGTLJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF3N5S/c1-7-11(23-6-20-7)12-21-9(13(15,16)17)4-22(12)5-10-18-2-8(14)3-19-10/h2-4,6H,5H2,1H3.
What are the key properties of 5-[1-[(5-chloropyrimidin-2-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazole?
5-[1-[(5-chloropyrimidin-2-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazole has a molecular weight of 359.76 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(5-chloropyrimidin-2-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 170633077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).