N-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide

C15H10F4N4O3S2 — CID 86897235

IUPACN-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCn1cc(-c2nc(C(=O)NS(=O)(=O)c3ccc(F)cc3C(F)(F)F)cs2)cn1
InChIInChI=1S/C15H10F4N4O3S2/c1-23-6-8(5-20-23)14-21-11(7-27-14)13(24)22-28(25,26)12-3-2-9(16)4-10(12)15(17,18)19/h2-7H,1H3,(H,22,24)
InChIKeyWXJXTXWXHLFRGA-UHFFFAOYSA-N
MW434.40 g/mol
LogP2.82
Rot. Bonds4

About N-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide

N-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide (PubChem CID 86897235) has the molecular formula C15H10F4N4O3S2 and a molecular weight of 434.40 g/mol. Its IUPAC name is N-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
PubChem CID86897235
Molecular FormulaC15H10F4N4O3S2
Molecular Weight434.40 g/mol
Exact Mass434.01
IUPAC NameN-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCn1cc(-c2nc(C(=O)NS(=O)(=O)c3ccc(F)cc3C(F)(F)F)cs2)cn1
InChIInChI=1S/C15H10F4N4O3S2/c1-23-6-8(5-20-23)14-21-11(7-27-14)13(24)22-28(25,26)12-3-2-9(16)4-10(12)15(17,18)19/h2-7H,1H3,(H,22,24)
InChIKeyWXJXTXWXHLFRGA-UHFFFAOYSA-N
XLogP2.82
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.40
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide (CID 86897235) is N-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide is Cn1cc(-c2nc(C(=O)NS(=O)(=O)c3ccc(F)cc3C(F)(F)F)cs2)cn1.
What is the InChIKey of N-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is WXJXTXWXHLFRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F4N4O3S2/c1-23-6-8(5-20-23)14-21-11(7-27-14)13(24)22-28(25,26)12-3-2-9(16)4-10(12)15(17,18)19/h2-7H,1H3,(H,22,24).
What are the key properties of N-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
N-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 434.40 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 86897235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).