5-(2-chloro-5-fluoropyrimidin-4-yl)-2-(3-methoxycyclobutyl)-4-(trifluoromethyl)-1,3-thiazole

C13H10ClF4N3OS — CID 164588478

IUPAC5-(2-chloro-5-fluoropyrimidin-4-yl)-2-(3-methoxycyclobutyl)-4-(trifluoromethyl)-1,3-thiazole
SMILESCOC1CC(c2nc(C(F)(F)F)c(-c3nc(Cl)ncc3F)s2)C1
InChIInChI=1S/C13H10ClF4N3OS/c1-22-6-2-5(3-6)11-21-10(13(16,17)18)9(23-11)8-7(15)4-19-12(14)20-8/h4-6H,2-3H2,1H3
InChIKeyXAKQUNFLWKQVJS-UHFFFAOYSA-N
MW367.76 g/mol
LogP4.30
Rot. Bonds3

About 5-(2-chloro-5-fluoropyrimidin-4-yl)-2-(3-methoxycyclobutyl)-4-(trifluoromethyl)-1,3-thiazole

5-(2-chloro-5-fluoropyrimidin-4-yl)-2-(3-methoxycyclobutyl)-4-(trifluoromethyl)-1,3-thiazole (PubChem CID 164588478) has the molecular formula C13H10ClF4N3OS and a molecular weight of 367.76 g/mol. Its IUPAC name is 5-(2-chloro-5-fluoropyrimidin-4-yl)-2-(3-methoxycyclobutyl)-4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name5-(2-chloro-5-fluoropyrimidin-4-yl)-2-(3-methoxycyclobutyl)-4-(trifluoromethyl)-1,3-thiazole
PubChem CID164588478
Molecular FormulaC13H10ClF4N3OS
Molecular Weight367.76 g/mol
Exact Mass367.02
IUPAC Name5-(2-chloro-5-fluoropyrimidin-4-yl)-2-(3-methoxycyclobutyl)-4-(trifluoromethyl)-1,3-thiazole
SMILESCOC1CC(c2nc(C(F)(F)F)c(-c3nc(Cl)ncc3F)s2)C1
InChIInChI=1S/C13H10ClF4N3OS/c1-22-6-2-5(3-6)11-21-10(13(16,17)18)9(23-11)8-7(15)4-19-12(14)20-8/h4-6H,2-3H2,1H3
InChIKeyXAKQUNFLWKQVJS-UHFFFAOYSA-N
XLogP4.30
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.76
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-chloro-5-fluoropyrimidin-4-yl)-4-methyl-2-(oxetan-3-yl)-1,3-thiazole
CID 164588493
3-[5-[5-fluoro-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimidin-4-yl]-4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclobutan-1-ol
CID 167193437
5-(2-chloro-5-fluoropyrimidin-4-yl)-2-propan-2-yl-1,3-thiazole
CID 164588484
5-(2-chloro-5-fluoropyrimidin-4-yl)-3-cyclopentyl-2,6-dimethylthieno[2,3-d]imidazole
CID 164709946
2-chloro-4-(3,4-difluoro-2-methoxyphenyl)-5-fluoropyrimidine
CID 135283311
2-chloro-5-fluoro-4-(3-fluoro-4-methoxyphenyl)pyrimidine
CID 79079653
2-chloro-4-(2,6-dimethoxypyrimidin-4-yl)-5-fluoropyrimidine
CID 166859597
2-chloro-4-(5-cyclopropyl-3-pyridinyl)-5-fluoropyrimidine
CID 58876902
2-chloro-4-(3,4-dimethylcyclohexyl)oxy-5-fluoropyrimidine
CID 79081144
2-[5-[5-fluoro-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimidin-4-yl]-4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanol
CID 167193631
2-chloro-N-(2-ethyl-3-methoxycyclohexyl)-5-fluoropyrimidin-4-amine
CID 90950055
2-bromo-1-[5-[5-fluoro-2-[(1-methylsulfinylpiperidin-4-yl)amino]pyrimidin-4-yl]-4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanone
CID 167193502

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-5-fluoropyrimidin-4-yl)-2-(3-methoxycyclobutyl)-4-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 5-(2-chloro-5-fluoropyrimidin-4-yl)-2-(3-methoxycyclobutyl)-4-(trifluoromethyl)-1,3-thiazole (CID 164588478) is 5-(2-chloro-5-fluoropyrimidin-4-yl)-2-(3-methoxycyclobutyl)-4-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 5-(2-chloro-5-fluoropyrimidin-4-yl)-2-(3-methoxycyclobutyl)-4-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 5-(2-chloro-5-fluoropyrimidin-4-yl)-2-(3-methoxycyclobutyl)-4-(trifluoromethyl)-1,3-thiazole is COC1CC(c2nc(C(F)(F)F)c(-c3nc(Cl)ncc3F)s2)C1.
What is the InChIKey of 5-(2-chloro-5-fluoropyrimidin-4-yl)-2-(3-methoxycyclobutyl)-4-(trifluoromethyl)-1,3-thiazole?
The InChIKey is XAKQUNFLWKQVJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF4N3OS/c1-22-6-2-5(3-6)11-21-10(13(16,17)18)9(23-11)8-7(15)4-19-12(14)20-8/h4-6H,2-3H2,1H3.
What are the key properties of 5-(2-chloro-5-fluoropyrimidin-4-yl)-2-(3-methoxycyclobutyl)-4-(trifluoromethyl)-1,3-thiazole?
5-(2-chloro-5-fluoropyrimidin-4-yl)-2-(3-methoxycyclobutyl)-4-(trifluoromethyl)-1,3-thiazole has a molecular weight of 367.76 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-5-fluoropyrimidin-4-yl)-2-(3-methoxycyclobutyl)-4-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 164588478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).