4-[4-[4-fluoro-2-(5-methylsulfonyl-2-pyridinyl)-5-(trifluoromethyl)pyrazol-3-yl]phenyl]-1,3-thiazole

C19H12F4N4O2S2 — CID 18768822

IUPAC4-[4-[4-fluoro-2-(5-methylsulfonyl-2-pyridinyl)-5-(trifluoromethyl)pyrazol-3-yl]phenyl]-1,3-thiazole
SMILESCS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)c(F)c2-c2ccc(-c3cscn3)cc2)nc1
InChIInChI=1S/C19H12F4N4O2S2/c1-31(28,29)13-6-7-15(24-8-13)27-17(16(20)18(26-27)19(21,22)23)12-4-2-11(3-5-12)14-9-30-10-25-14/h2-10H,1H3
InChIKeyIMZHLIMGNRBGMJ-UHFFFAOYSA-N
MW468.46 g/mol
LogP4.62
Rot. Bonds4

About 4-[4-[4-fluoro-2-(5-methylsulfonyl-2-pyridinyl)-5-(trifluoromethyl)pyrazol-3-yl]phenyl]-1,3-thiazole

4-[4-[4-fluoro-2-(5-methylsulfonyl-2-pyridinyl)-5-(trifluoromethyl)pyrazol-3-yl]phenyl]-1,3-thiazole (PubChem CID 18768822) has the molecular formula C19H12F4N4O2S2 and a molecular weight of 468.46 g/mol. Its IUPAC name is 4-[4-[4-fluoro-2-(5-methylsulfonyl-2-pyridinyl)-5-(trifluoromethyl)pyrazol-3-yl]phenyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[4-[4-fluoro-2-(5-methylsulfonyl-2-pyridinyl)-5-(trifluoromethyl)pyrazol-3-yl]phenyl]-1,3-thiazole
PubChem CID18768822
Molecular FormulaC19H12F4N4O2S2
Molecular Weight468.46 g/mol
Exact Mass468.03
IUPAC Name4-[4-[4-fluoro-2-(5-methylsulfonyl-2-pyridinyl)-5-(trifluoromethyl)pyrazol-3-yl]phenyl]-1,3-thiazole
SMILESCS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)c(F)c2-c2ccc(-c3cscn3)cc2)nc1
InChIInChI=1S/C19H12F4N4O2S2/c1-31(28,29)13-6-7-15(24-8-13)27-17(16(20)18(26-27)19(21,22)23)12-4-2-11(3-5-12)14-9-30-10-25-14/h2-10H,1H3
InChIKeyIMZHLIMGNRBGMJ-UHFFFAOYSA-N
XLogP4.62
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.46
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-chloro-5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]-5-methylsulfonylpyridine
CID 10135715
4-[2-ethyl-4-[1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1,3-thiazole
CID 20601434
2-[3,5-bis(trifluoromethyl)-1,2,4-triazol-1-yl]-5-methylsulfonylpyridine
CID 151333347
1-(5-methylsulfonyl-2-pyridinyl)-5-propan-2-ylsulfanyl-3-(trifluoromethyl)pyrazole-4-carbaldehyde
CID 10135176
methanamine;5-methylsulfonyl-2-[5-phenyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridine
CID 22226767
5-methylsulfonyl-2-[5-naphthalen-2-yl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridine
CID 10477108
2-methyl-4-[1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]benzonitrile
CID 10179470
5-[4-chloro-2-(5-methylsulfonyl-2-pyridinyl)-5-(trifluoromethyl)pyrazol-3-yl]-2-(furan-2-yl)benzonitrile
CID 10300203
2-[5-(4-methoxy-3-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]-5-methylsulfonylpyridine
CID 12972729
2-[5-(2,4-difluorophenyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-5-methylsulfonylpyridine
CID 10431304
5-(azepan-1-ylamino)-1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile
CID 10296173
5-[(4-methylcyclohexyl)amino]-1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazole-4-carbaldehyde
CID 22499672

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-fluoro-2-(5-methylsulfonyl-2-pyridinyl)-5-(trifluoromethyl)pyrazol-3-yl]phenyl]-1,3-thiazole?
The IUPAC name of 4-[4-[4-fluoro-2-(5-methylsulfonyl-2-pyridinyl)-5-(trifluoromethyl)pyrazol-3-yl]phenyl]-1,3-thiazole (CID 18768822) is 4-[4-[4-fluoro-2-(5-methylsulfonyl-2-pyridinyl)-5-(trifluoromethyl)pyrazol-3-yl]phenyl]-1,3-thiazole.
What is the SMILES notation for 4-[4-[4-fluoro-2-(5-methylsulfonyl-2-pyridinyl)-5-(trifluoromethyl)pyrazol-3-yl]phenyl]-1,3-thiazole?
The canonical SMILES for 4-[4-[4-fluoro-2-(5-methylsulfonyl-2-pyridinyl)-5-(trifluoromethyl)pyrazol-3-yl]phenyl]-1,3-thiazole is CS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)c(F)c2-c2ccc(-c3cscn3)cc2)nc1.
What is the InChIKey of 4-[4-[4-fluoro-2-(5-methylsulfonyl-2-pyridinyl)-5-(trifluoromethyl)pyrazol-3-yl]phenyl]-1,3-thiazole?
The InChIKey is IMZHLIMGNRBGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F4N4O2S2/c1-31(28,29)13-6-7-15(24-8-13)27-17(16(20)18(26-27)19(21,22)23)12-4-2-11(3-5-12)14-9-30-10-25-14/h2-10H,1H3.
What are the key properties of 4-[4-[4-fluoro-2-(5-methylsulfonyl-2-pyridinyl)-5-(trifluoromethyl)pyrazol-3-yl]phenyl]-1,3-thiazole?
4-[4-[4-fluoro-2-(5-methylsulfonyl-2-pyridinyl)-5-(trifluoromethyl)pyrazol-3-yl]phenyl]-1,3-thiazole has a molecular weight of 468.46 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-fluoro-2-(5-methylsulfonyl-2-pyridinyl)-5-(trifluoromethyl)pyrazol-3-yl]phenyl]-1,3-thiazole is sourced from PubChem (CID 18768822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).