5-(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)-1,3-thiazole

C10H4ClF3N6S — CID 106784264

IUPAC5-(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)(F)c1ncc(-c2nc(Cl)nc(-n3ccnc3)n2)s1
InChIInChI=1S/C10H4ClF3N6S/c11-8-17-6(5-3-16-7(21-5)10(12,13)14)18-9(19-8)20-2-1-15-4-20/h1-4H
InChIKeyBLUSSVIFSBWIQQ-UHFFFAOYSA-N
MW332.70 g/mol
LogP2.85
Rot. Bonds2

About 5-(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)-1,3-thiazole

5-(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)-1,3-thiazole (PubChem CID 106784264) has the molecular formula C10H4ClF3N6S and a molecular weight of 332.70 g/mol. Its IUPAC name is 5-(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name5-(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)-1,3-thiazole
PubChem CID106784264
Molecular FormulaC10H4ClF3N6S
Molecular Weight332.70 g/mol
Exact Mass331.99
IUPAC Name5-(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)(F)c1ncc(-c2nc(Cl)nc(-n3ccnc3)n2)s1
InChIInChI=1S/C10H4ClF3N6S/c11-8-17-6(5-3-16-7(21-5)10(12,13)14)18-9(19-8)20-2-1-15-4-20/h1-4H
InChIKeyBLUSSVIFSBWIQQ-UHFFFAOYSA-N
XLogP2.85
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.70
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N,N-dimethyl-5-{1-[(5-methylpyrazin-2-yl)methyl]-1H-imidazol-2-yl}-1,3-thiazol-2-amine
CID 56868675
5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-2-methyl-1,3-thiazole
CID 86774841
2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-(trifluoromethyl)-1,3-thiazole
CID 137986514
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-Bromo-5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole
CID 172596823
4-[1-[(5-Chloropyrimidin-2-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole
CID 176842775
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 5-(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 5-(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)-1,3-thiazole (CID 106784264) is 5-(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 5-(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 5-(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)-1,3-thiazole is FC(F)(F)c1ncc(-c2nc(Cl)nc(-n3ccnc3)n2)s1.
What is the InChIKey of 5-(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)-1,3-thiazole?
The InChIKey is BLUSSVIFSBWIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4ClF3N6S/c11-8-17-6(5-3-16-7(21-5)10(12,13)14)18-9(19-8)20-2-1-15-4-20/h1-4H.
What are the key properties of 5-(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)-1,3-thiazole?
5-(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)-1,3-thiazole has a molecular weight of 332.70 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 106784264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).