5-[4-(5-fluoro-2,3-dihydroindol-1-yl)piperidin-1-yl]sulfonyl-2-methyl-1,3-thiazole

C17H20FN3O2S2 — CID 126811409

IUPAC5-[4-(5-fluoro-2,3-dihydroindol-1-yl)piperidin-1-yl]sulfonyl-2-methyl-1,3-thiazole
SMILESCc1ncc(S(=O)(=O)N2CCC(N3CCc4cc(F)ccc43)CC2)s1
InChIInChI=1S/C17H20FN3O2S2/c1-12-19-11-17(24-12)25(22,23)20-7-5-15(6-8-20)21-9-4-13-10-14(18)2-3-16(13)21/h2-3,10-11,15H,4-9H2,1H3
InChIKeyMGNNNEAPUCAJNV-UHFFFAOYSA-N
MW381.50 g/mol
LogP2.81
Rot. Bonds3

About 5-[4-(5-fluoro-2,3-dihydroindol-1-yl)piperidin-1-yl]sulfonyl-2-methyl-1,3-thiazole

5-[4-(5-fluoro-2,3-dihydroindol-1-yl)piperidin-1-yl]sulfonyl-2-methyl-1,3-thiazole (PubChem CID 126811409) has the molecular formula C17H20FN3O2S2 and a molecular weight of 381.50 g/mol. Its IUPAC name is 5-[4-(5-fluoro-2,3-dihydroindol-1-yl)piperidin-1-yl]sulfonyl-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-[4-(5-fluoro-2,3-dihydroindol-1-yl)piperidin-1-yl]sulfonyl-2-methyl-1,3-thiazole
PubChem CID126811409
Molecular FormulaC17H20FN3O2S2
Molecular Weight381.50 g/mol
Exact Mass381.10
IUPAC Name5-[4-(5-fluoro-2,3-dihydroindol-1-yl)piperidin-1-yl]sulfonyl-2-methyl-1,3-thiazole
SMILESCc1ncc(S(=O)(=O)N2CCC(N3CCc4cc(F)ccc43)CC2)s1
InChIInChI=1S/C17H20FN3O2S2/c1-12-19-11-17(24-12)25(22,23)20-7-5-15(6-8-20)21-9-4-13-10-14(18)2-3-16(13)21/h2-3,10-11,15H,4-9H2,1H3
InChIKeyMGNNNEAPUCAJNV-UHFFFAOYSA-N
XLogP2.81
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(5-fluoro-2,3-dihydroindol-1-yl)piperidin-1-yl]sulfonyl-2-methyl-1,3-thiazole?
The IUPAC name of 5-[4-(5-fluoro-2,3-dihydroindol-1-yl)piperidin-1-yl]sulfonyl-2-methyl-1,3-thiazole (CID 126811409) is 5-[4-(5-fluoro-2,3-dihydroindol-1-yl)piperidin-1-yl]sulfonyl-2-methyl-1,3-thiazole.
What is the SMILES notation for 5-[4-(5-fluoro-2,3-dihydroindol-1-yl)piperidin-1-yl]sulfonyl-2-methyl-1,3-thiazole?
The canonical SMILES for 5-[4-(5-fluoro-2,3-dihydroindol-1-yl)piperidin-1-yl]sulfonyl-2-methyl-1,3-thiazole is Cc1ncc(S(=O)(=O)N2CCC(N3CCc4cc(F)ccc43)CC2)s1.
What is the InChIKey of 5-[4-(5-fluoro-2,3-dihydroindol-1-yl)piperidin-1-yl]sulfonyl-2-methyl-1,3-thiazole?
The InChIKey is MGNNNEAPUCAJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O2S2/c1-12-19-11-17(24-12)25(22,23)20-7-5-15(6-8-20)21-9-4-13-10-14(18)2-3-16(13)21/h2-3,10-11,15H,4-9H2,1H3.
What are the key properties of 5-[4-(5-fluoro-2,3-dihydroindol-1-yl)piperidin-1-yl]sulfonyl-2-methyl-1,3-thiazole?
5-[4-(5-fluoro-2,3-dihydroindol-1-yl)piperidin-1-yl]sulfonyl-2-methyl-1,3-thiazole has a molecular weight of 381.50 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(5-fluoro-2,3-dihydroindol-1-yl)piperidin-1-yl]sulfonyl-2-methyl-1,3-thiazole is sourced from PubChem (CID 126811409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).