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

C19H13F3N4O2S2 — CID 18768833

IUPAC2-[4-[1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1,3-thiazole
SMILESCS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(-c3nccs3)cc2)nc1
InChIInChI=1S/C19H13F3N4O2S2/c1-30(27,28)14-6-7-17(24-11-14)26-15(10-16(25-26)19(20,21)22)12-2-4-13(5-3-12)18-23-8-9-29-18/h2-11H,1H3
InChIKeyKBRVQKZQCHBCQF-UHFFFAOYSA-N
MW450.47 g/mol
LogP4.48
Rot. Bonds4

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

2-[4-[1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1,3-thiazole (PubChem CID 18768833) has the molecular formula C19H13F3N4O2S2 and a molecular weight of 450.47 g/mol. Its IUPAC name is 2-[4-[1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[4-[1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1,3-thiazole
PubChem CID18768833
Molecular FormulaC19H13F3N4O2S2
Molecular Weight450.47 g/mol
Exact Mass450.04
IUPAC Name2-[4-[1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1,3-thiazole
SMILESCS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(-c3nccs3)cc2)nc1
InChIInChI=1S/C19H13F3N4O2S2/c1-30(27,28)14-6-7-17(24-11-14)26-15(10-16(25-26)19(20,21)22)12-2-4-13(5-3-12)18-23-8-9-29-18/h2-11H,1H3
InChIKeyKBRVQKZQCHBCQF-UHFFFAOYSA-N
XLogP4.48
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.47
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1,3-thiazole?
The IUPAC name of 2-[4-[1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1,3-thiazole (CID 18768833) is 2-[4-[1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1,3-thiazole.
What is the SMILES notation for 2-[4-[1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1,3-thiazole?
The canonical SMILES for 2-[4-[1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1,3-thiazole is CS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(-c3nccs3)cc2)nc1.
What is the InChIKey of 2-[4-[1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1,3-thiazole?
The InChIKey is KBRVQKZQCHBCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N4O2S2/c1-30(27,28)14-6-7-17(24-11-14)26-15(10-16(25-26)19(20,21)22)12-2-4-13(5-3-12)18-23-8-9-29-18/h2-11H,1H3.
What are the key properties of 2-[4-[1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1,3-thiazole?
2-[4-[1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1,3-thiazole has a molecular weight of 450.47 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1,3-thiazole is sourced from PubChem (CID 18768833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).