2-[4-[4-[(6-amino-3-pyridinyl)sulfonyl]-1,3-thiazol-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol

C17H11F6N3O3S2 — CID 122178256

IUPAC2-[4-[4-[(6-amino-3-pyridinyl)sulfonyl]-1,3-thiazol-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESNc1ccc(S(=O)(=O)c2csc(-c3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)n2)cn1
InChIInChI=1S/C17H11F6N3O3S2/c18-16(19,20)15(27,17(21,22)23)10-3-1-9(2-4-10)14-26-13(8-30-14)31(28,29)11-5-6-12(24)25-7-11/h1-8,27H,(H2,24,25)
InChIKeyQGHJQMLDDYAKOF-UHFFFAOYSA-N
MW483.42 g/mol
LogP3.93
Rot. Bonds4

About 2-[4-[4-[(6-amino-3-pyridinyl)sulfonyl]-1,3-thiazol-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol

2-[4-[4-[(6-amino-3-pyridinyl)sulfonyl]-1,3-thiazol-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 122178256) has the molecular formula C17H11F6N3O3S2 and a molecular weight of 483.42 g/mol. Its IUPAC name is 2-[4-[4-[(6-amino-3-pyridinyl)sulfonyl]-1,3-thiazol-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name2-[4-[4-[(6-amino-3-pyridinyl)sulfonyl]-1,3-thiazol-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID122178256
Molecular FormulaC17H11F6N3O3S2
Molecular Weight483.42 g/mol
Exact Mass483.01
IUPAC Name2-[4-[4-[(6-amino-3-pyridinyl)sulfonyl]-1,3-thiazol-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESNc1ccc(S(=O)(=O)c2csc(-c3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)n2)cn1
InChIInChI=1S/C17H11F6N3O3S2/c18-16(19,20)15(27,17(21,22)23)10-3-1-9(2-4-10)14-26-13(8-30-14)31(28,29)11-5-6-12(24)25-7-11/h1-8,27H,(H2,24,25)
InChIKeyQGHJQMLDDYAKOF-UHFFFAOYSA-N
XLogP3.93
TPSA106.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.42
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[4-[4-[(6-amino-3-pyridinyl)sulfonyl]-1,3-thiazol-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol with MolForge

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Related Compounds

(2s)-2-{4'-[(6-Aminopyridin-3-Yl)sulfonyl]biphenyl-4-Yl}-1,1,1-Trifluoropropan-2-Ol
CID 66582902
2-[4-[5-[(6-Amino-3-pyridinyl)sulfonyl]-1,3-thiazol-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 122178255
2-[4-[5-[(6-Amino-3-pyridinyl)sulfonyl]-1,3-thiazol-2-yl]-3-chlorophenyl]-1,1,1-trifluoropropan-2-ol
CID 122178261
(2R)-2-[4-[5-[(6-amino-3-pyridinyl)sulfonyl]-1,3-thiazol-2-yl]-3-chlorophenyl]-1,1,1-trifluoropropan-2-ol
CID 122178262
(2S)-2-[4-[5-[(6-amino-3-pyridinyl)sulfonyl]-1,3-thiazol-2-yl]-3-chlorophenyl]-1,1,1-trifluoropropan-2-ol
CID 122178263
2-[4-[5-[(6-Amino-3-pyridinyl)sulfonyl]-1,3-thiazol-2-yl]-3-chlorophenyl]propan-2-ol
CID 122178264
2-[4-[5-[(6-Amino-3-pyridinyl)sulfonyl]-1,3-thiazol-2-yl]-3-chlorophenyl]propane-1,2-diol
CID 122178266
(2R)-2-[4-[5-[(6-amino-3-pyridinyl)sulfonyl]-1,3-thiazol-2-yl]-3-chlorophenyl]propane-1,2-diol
CID 122178267
(2S)-2-[4-[5-[(6-amino-3-pyridinyl)sulfonyl]-1,3-thiazol-2-yl]-3-chlorophenyl]propane-1,2-diol
CID 122178268
2-(4'-((6-Amino-3-pyridinyl)sulfonyl)-4-biphenylyl)-1,1,1-trifluoro-2-propanol
CID 66582331
2-[4-[5-[(6-Amino-3-pyridinyl)sulfonyl]thiophen-2-yl]phenyl]-1,1,1-trifluoropropan-2-ol
CID 122178254
2-[4-[4-[(6-Amino-3-pyridinyl)sulfonyl]-1-methylimidazol-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 122178257

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[(6-amino-3-pyridinyl)sulfonyl]-1,3-thiazol-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of 2-[4-[4-[(6-amino-3-pyridinyl)sulfonyl]-1,3-thiazol-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 122178256) is 2-[4-[4-[(6-amino-3-pyridinyl)sulfonyl]-1,3-thiazol-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol.
What is the SMILES notation for 2-[4-[4-[(6-amino-3-pyridinyl)sulfonyl]-1,3-thiazol-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for 2-[4-[4-[(6-amino-3-pyridinyl)sulfonyl]-1,3-thiazol-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol is Nc1ccc(S(=O)(=O)c2csc(-c3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)n2)cn1.
What is the InChIKey of 2-[4-[4-[(6-amino-3-pyridinyl)sulfonyl]-1,3-thiazol-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is QGHJQMLDDYAKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F6N3O3S2/c18-16(19,20)15(27,17(21,22)23)10-3-1-9(2-4-10)14-26-13(8-30-14)31(28,29)11-5-6-12(24)25-7-11/h1-8,27H,(H2,24,25).
What are the key properties of 2-[4-[4-[(6-amino-3-pyridinyl)sulfonyl]-1,3-thiazol-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-[4-[4-[(6-amino-3-pyridinyl)sulfonyl]-1,3-thiazol-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 483.42 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[(6-amino-3-pyridinyl)sulfonyl]-1,3-thiazol-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 122178256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).