2-[(2S)-1-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]furan-2-yl]sulfonylpiperidin-2-yl]-1,3-thiazole

C16H15F3N4O3S2 — CID 164635549

IUPAC2-[(2S)-1-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]furan-2-yl]sulfonylpiperidin-2-yl]-1,3-thiazole
SMILESO=S(=O)(c1ccc(-c2cc(C(F)(F)F)[nH]n2)o1)N1CCCC[C@H]1c1nccs1
InChIInChI=1S/C16H15F3N4O3S2/c17-16(18,19)13-9-10(21-22-13)12-4-5-14(26-12)28(24,25)23-7-2-1-3-11(23)15-20-6-8-27-15/h4-6,8-9,11H,1-3,7H2,(H,21,22)/t11-/m0/s1
InChIKeyUVKSWQAVXIFCKU-NSHDSACASA-N
MW432.45 g/mol
LogP4.06
Rot. Bonds4

About 2-[(2S)-1-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]furan-2-yl]sulfonylpiperidin-2-yl]-1,3-thiazole

2-[(2S)-1-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]furan-2-yl]sulfonylpiperidin-2-yl]-1,3-thiazole (PubChem CID 164635549) has the molecular formula C16H15F3N4O3S2 and a molecular weight of 432.45 g/mol. Its IUPAC name is 2-[(2S)-1-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]furan-2-yl]sulfonylpiperidin-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[(2S)-1-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]furan-2-yl]sulfonylpiperidin-2-yl]-1,3-thiazole
PubChem CID164635549
Molecular FormulaC16H15F3N4O3S2
Molecular Weight432.45 g/mol
Exact Mass432.05
IUPAC Name2-[(2S)-1-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]furan-2-yl]sulfonylpiperidin-2-yl]-1,3-thiazole
SMILESO=S(=O)(c1ccc(-c2cc(C(F)(F)F)[nH]n2)o1)N1CCCC[C@H]1c1nccs1
InChIInChI=1S/C16H15F3N4O3S2/c17-16(18,19)13-9-10(21-22-13)12-4-5-14(26-12)28(24,25)23-7-2-1-3-11(23)15-20-6-8-27-15/h4-6,8-9,11H,1-3,7H2,(H,21,22)/t11-/m0/s1
InChIKeyUVKSWQAVXIFCKU-NSHDSACASA-N
XLogP4.06
TPSA92.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.45
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]furan-2-yl]sulfonylpiperidin-2-yl]-1,3-thiazole?
The IUPAC name of 2-[(2S)-1-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]furan-2-yl]sulfonylpiperidin-2-yl]-1,3-thiazole (CID 164635549) is 2-[(2S)-1-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]furan-2-yl]sulfonylpiperidin-2-yl]-1,3-thiazole.
What is the SMILES notation for 2-[(2S)-1-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]furan-2-yl]sulfonylpiperidin-2-yl]-1,3-thiazole?
The canonical SMILES for 2-[(2S)-1-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]furan-2-yl]sulfonylpiperidin-2-yl]-1,3-thiazole is O=S(=O)(c1ccc(-c2cc(C(F)(F)F)[nH]n2)o1)N1CCCC[C@H]1c1nccs1.
What is the InChIKey of 2-[(2S)-1-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]furan-2-yl]sulfonylpiperidin-2-yl]-1,3-thiazole?
The InChIKey is UVKSWQAVXIFCKU-NSHDSACASA-N. The full InChI is InChI=1S/C16H15F3N4O3S2/c17-16(18,19)13-9-10(21-22-13)12-4-5-14(26-12)28(24,25)23-7-2-1-3-11(23)15-20-6-8-27-15/h4-6,8-9,11H,1-3,7H2,(H,21,22)/t11-/m0/s1.
What are the key properties of 2-[(2S)-1-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]furan-2-yl]sulfonylpiperidin-2-yl]-1,3-thiazole?
2-[(2S)-1-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]furan-2-yl]sulfonylpiperidin-2-yl]-1,3-thiazole has a molecular weight of 432.45 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]furan-2-yl]sulfonylpiperidin-2-yl]-1,3-thiazole is sourced from PubChem (CID 164635549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).