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

C12H6ClF4N5S — CID 170633072

IUPAC5-[1-[(5-chloropyrimidin-2-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-2-fluoro-1,3-thiazole
SMILESFc1ncc(-c2nc(C(F)(F)F)cn2Cc2ncc(Cl)cn2)s1
InChIInChI=1S/C12H6ClF4N5S/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
InChIKeyGSCBIFGBYDJXRF-UHFFFAOYSA-N
MW363.73 g/mol
LogP3.66
Rot. Bonds3

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

5-[1-[(5-chloropyrimidin-2-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-2-fluoro-1,3-thiazole (PubChem CID 170633072) has the molecular formula C12H6ClF4N5S and a molecular weight of 363.73 g/mol. Its IUPAC name is 5-[1-[(5-chloropyrimidin-2-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-2-fluoro-1,3-thiazole.

Molecular Properties

Compound Name5-[1-[(5-chloropyrimidin-2-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-2-fluoro-1,3-thiazole
PubChem CID170633072
Molecular FormulaC12H6ClF4N5S
Molecular Weight363.73 g/mol
Exact Mass363.00
IUPAC Name5-[1-[(5-chloropyrimidin-2-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-2-fluoro-1,3-thiazole
SMILESFc1ncc(-c2nc(C(F)(F)F)cn2Cc2ncc(Cl)cn2)s1
InChIInChI=1S/C12H6ClF4N5S/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
InChIKeyGSCBIFGBYDJXRF-UHFFFAOYSA-N
XLogP3.66
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.73
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[(5-chloropyrimidin-2-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-2-fluoro-1,3-thiazole?
The IUPAC name of 5-[1-[(5-chloropyrimidin-2-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-2-fluoro-1,3-thiazole (CID 170633072) is 5-[1-[(5-chloropyrimidin-2-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-2-fluoro-1,3-thiazole.
What is the SMILES notation for 5-[1-[(5-chloropyrimidin-2-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-2-fluoro-1,3-thiazole?
The canonical SMILES for 5-[1-[(5-chloropyrimidin-2-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-2-fluoro-1,3-thiazole is Fc1ncc(-c2nc(C(F)(F)F)cn2Cc2ncc(Cl)cn2)s1.
What is the InChIKey of 5-[1-[(5-chloropyrimidin-2-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-2-fluoro-1,3-thiazole?
The InChIKey is GSCBIFGBYDJXRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6ClF4N5S/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 5-[1-[(5-chloropyrimidin-2-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-2-fluoro-1,3-thiazole?
5-[1-[(5-chloropyrimidin-2-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-2-fluoro-1,3-thiazole has a molecular weight of 363.73 g/mol, XLogP of 3.66, 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]-2-fluoro-1,3-thiazole is sourced from PubChem (CID 170633072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).