4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-2-piperidin-4-yl-1,3-thiazole;hydrochloride

C17H22ClN3O2S2 — CID 119035720

IUPAC4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-2-piperidin-4-yl-1,3-thiazole;hydrochloride
SMILESCS(=O)(=O)N1CCc2cc(-c3csc(C4CCNCC4)n3)ccc21.Cl
InChIInChI=1S/C17H21N3O2S2.ClH/c1-24(21,22)20-9-6-14-10-13(2-3-16(14)20)15-11-23-17(19-15)12-4-7-18-8-5-12;/h2-3,10-12,18H,4-9H2,1H3;1H
InChIKeyVZJSHZDVESAWGI-UHFFFAOYSA-N
MW399.97 g/mol
LogP3.02
Rot. Bonds3

About 4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-2-piperidin-4-yl-1,3-thiazole;hydrochloride

4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-2-piperidin-4-yl-1,3-thiazole;hydrochloride (PubChem CID 119035720) has the molecular formula C17H22ClN3O2S2 and a molecular weight of 399.97 g/mol. Its IUPAC name is 4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-2-piperidin-4-yl-1,3-thiazole;hydrochloride.

Molecular Properties

Compound Name4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-2-piperidin-4-yl-1,3-thiazole;hydrochloride
PubChem CID119035720
Molecular FormulaC17H22ClN3O2S2
Molecular Weight399.97 g/mol
Exact Mass399.08
IUPAC Name4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-2-piperidin-4-yl-1,3-thiazole;hydrochloride
SMILESCS(=O)(=O)N1CCc2cc(-c3csc(C4CCNCC4)n3)ccc21.Cl
InChIInChI=1S/C17H21N3O2S2.ClH/c1-24(21,22)20-9-6-14-10-13(2-3-16(14)20)15-11-23-17(19-15)12-4-7-18-8-5-12;/h2-3,10-12,18H,4-9H2,1H3;1H
InChIKeyVZJSHZDVESAWGI-UHFFFAOYSA-N
XLogP3.02
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.97
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-2-piperidin-4-yl-1,3-thiazole;hydrochloride?
The IUPAC name of 4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-2-piperidin-4-yl-1,3-thiazole;hydrochloride (CID 119035720) is 4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-2-piperidin-4-yl-1,3-thiazole;hydrochloride.
What is the SMILES notation for 4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-2-piperidin-4-yl-1,3-thiazole;hydrochloride?
The canonical SMILES for 4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-2-piperidin-4-yl-1,3-thiazole;hydrochloride is CS(=O)(=O)N1CCc2cc(-c3csc(C4CCNCC4)n3)ccc21.Cl.
What is the InChIKey of 4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-2-piperidin-4-yl-1,3-thiazole;hydrochloride?
The InChIKey is VZJSHZDVESAWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S2.ClH/c1-24(21,22)20-9-6-14-10-13(2-3-16(14)20)15-11-23-17(19-15)12-4-7-18-8-5-12;/h2-3,10-12,18H,4-9H2,1H3;1H.
What are the key properties of 4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-2-piperidin-4-yl-1,3-thiazole;hydrochloride?
4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-2-piperidin-4-yl-1,3-thiazole;hydrochloride has a molecular weight of 399.97 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-2-piperidin-4-yl-1,3-thiazole;hydrochloride is sourced from PubChem (CID 119035720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).