[2-(3-fluoro-4-methylsulfonylanilino)-4-(2-methoxy-4-pyridinyl)-1,3-thiazol-5-yl]methanol

C17H16FN3O4S2 — CID 164587602

IUPAC[2-(3-fluoro-4-methylsulfonylanilino)-4-(2-methoxy-4-pyridinyl)-1,3-thiazol-5-yl]methanol
SMILESCOc1cc(-c2nc(Nc3ccc(S(C)(=O)=O)c(F)c3)sc2CO)ccn1
InChIInChI=1S/C17H16FN3O4S2/c1-25-15-7-10(5-6-19-15)16-13(9-22)26-17(21-16)20-11-3-4-14(12(18)8-11)27(2,23)24/h3-8,22H,9H2,1-2H3,(H,20,21)
InChIKeyAMTDJRCYYRGGIK-UHFFFAOYSA-N
MW409.46 g/mol
LogP2.99
Rot. Bonds6

About [2-(3-fluoro-4-methylsulfonylanilino)-4-(2-methoxy-4-pyridinyl)-1,3-thiazol-5-yl]methanol

[2-(3-fluoro-4-methylsulfonylanilino)-4-(2-methoxy-4-pyridinyl)-1,3-thiazol-5-yl]methanol (PubChem CID 164587602) has the molecular formula C17H16FN3O4S2 and a molecular weight of 409.46 g/mol. Its IUPAC name is [2-(3-fluoro-4-methylsulfonylanilino)-4-(2-methoxy-4-pyridinyl)-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-(3-fluoro-4-methylsulfonylanilino)-4-(2-methoxy-4-pyridinyl)-1,3-thiazol-5-yl]methanol
PubChem CID164587602
Molecular FormulaC17H16FN3O4S2
Molecular Weight409.46 g/mol
Exact Mass409.06
IUPAC Name[2-(3-fluoro-4-methylsulfonylanilino)-4-(2-methoxy-4-pyridinyl)-1,3-thiazol-5-yl]methanol
SMILESCOc1cc(-c2nc(Nc3ccc(S(C)(=O)=O)c(F)c3)sc2CO)ccn1
InChIInChI=1S/C17H16FN3O4S2/c1-25-15-7-10(5-6-19-15)16-13(9-22)26-17(21-16)20-11-3-4-14(12(18)8-11)27(2,23)24/h3-8,22H,9H2,1-2H3,(H,20,21)
InChIKeyAMTDJRCYYRGGIK-UHFFFAOYSA-N
XLogP2.99
TPSA101.41 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.46
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [2-(3-fluoro-4-methylsulfonylanilino)-4-(2-methoxy-4-pyridinyl)-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-(3-fluoro-4-methylsulfonylanilino)-4-(2-methoxy-4-pyridinyl)-1,3-thiazol-5-yl]methanol (CID 164587602) is [2-(3-fluoro-4-methylsulfonylanilino)-4-(2-methoxy-4-pyridinyl)-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-(3-fluoro-4-methylsulfonylanilino)-4-(2-methoxy-4-pyridinyl)-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-(3-fluoro-4-methylsulfonylanilino)-4-(2-methoxy-4-pyridinyl)-1,3-thiazol-5-yl]methanol is COc1cc(-c2nc(Nc3ccc(S(C)(=O)=O)c(F)c3)sc2CO)ccn1.
What is the InChIKey of [2-(3-fluoro-4-methylsulfonylanilino)-4-(2-methoxy-4-pyridinyl)-1,3-thiazol-5-yl]methanol?
The InChIKey is AMTDJRCYYRGGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O4S2/c1-25-15-7-10(5-6-19-15)16-13(9-22)26-17(21-16)20-11-3-4-14(12(18)8-11)27(2,23)24/h3-8,22H,9H2,1-2H3,(H,20,21).
What are the key properties of [2-(3-fluoro-4-methylsulfonylanilino)-4-(2-methoxy-4-pyridinyl)-1,3-thiazol-5-yl]methanol?
[2-(3-fluoro-4-methylsulfonylanilino)-4-(2-methoxy-4-pyridinyl)-1,3-thiazol-5-yl]methanol has a molecular weight of 409.46 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluoro-4-methylsulfonylanilino)-4-(2-methoxy-4-pyridinyl)-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 164587602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).