5-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-2-(trifluoromethyl)-1,3-thiazole

C9H2ClF6N3S — CID 106784301

IUPAC5-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-2-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)(F)c1cc(-c2cnc(C(F)(F)F)s2)nc(Cl)n1
InChIInChI=1S/C9H2ClF6N3S/c10-7-18-3(1-5(19-7)8(11,12)13)4-2-17-6(20-4)9(14,15)16/h1-2H
InChIKeySEURCAMHTBPQRO-UHFFFAOYSA-N
MW333.64 g/mol
LogP4.29
Rot. Bonds1

About 5-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-2-(trifluoromethyl)-1,3-thiazole

5-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-2-(trifluoromethyl)-1,3-thiazole (PubChem CID 106784301) has the molecular formula C9H2ClF6N3S and a molecular weight of 333.64 g/mol. Its IUPAC name is 5-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-2-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name5-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-2-(trifluoromethyl)-1,3-thiazole
PubChem CID106784301
Molecular FormulaC9H2ClF6N3S
Molecular Weight333.64 g/mol
Exact Mass332.96
IUPAC Name5-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-2-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)(F)c1cc(-c2cnc(C(F)(F)F)s2)nc(Cl)n1
InChIInChI=1S/C9H2ClF6N3S/c10-7-18-3(1-5(19-7)8(11,12)13)4-2-17-6(20-4)9(14,15)16/h1-2H
InChIKeySEURCAMHTBPQRO-UHFFFAOYSA-N
XLogP4.29
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.64
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrimidin-4-amine
CID 106784394
2-chloro-4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidine
CID 57468667
5-[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-2-(trifluoromethyl)-1,3-thiazole
CID 106784291
4-(3-bromothiophen-2-yl)-2-chloro-6-(trifluoromethyl)pyrimidine
CID 114563128
2-chloro-4-iodo-6-(trifluoromethyl)pyrimidine
CID 119004261
2-chloro-4-(3,4-dichlorophenyl)-6-(trifluoromethyl)pyrimidine
CID 15477740
5-(6-bromo-2-pyridinyl)-2-(trifluoromethyl)-1,3-thiazole
CID 106784270
2-chloro-4-(2,4-dichlorophenyl)-6-(trifluoromethyl)pyrimidine
CID 57468690
4-(4-bromo-3-chloro-2-fluorophenyl)-2-chloro-6-(trifluoromethyl)pyrimidine
CID 106763594
2-chloro-4-(trifluoromethyl)-6-[3-(trifluoromethyl)phenyl]pyrimidine
CID 57468661
2-chloro-4-naphthalen-2-yl-6-(trifluoromethyl)pyrimidine
CID 112693753
4-(3-bromofuran-2-yl)-2-chloro-6-(trifluoromethyl)pyrimidine
CID 114563099

Frequently Asked Questions

What is the IUPAC name of 5-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-2-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 5-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-2-(trifluoromethyl)-1,3-thiazole (CID 106784301) is 5-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-2-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 5-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-2-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 5-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-2-(trifluoromethyl)-1,3-thiazole is FC(F)(F)c1cc(-c2cnc(C(F)(F)F)s2)nc(Cl)n1.
What is the InChIKey of 5-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-2-(trifluoromethyl)-1,3-thiazole?
The InChIKey is SEURCAMHTBPQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H2ClF6N3S/c10-7-18-3(1-5(19-7)8(11,12)13)4-2-17-6(20-4)9(14,15)16/h1-2H.
What are the key properties of 5-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-2-(trifluoromethyl)-1,3-thiazole?
5-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-2-(trifluoromethyl)-1,3-thiazole has a molecular weight of 333.64 g/mol, XLogP of 4.29, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-2-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 106784301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).