4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-2-pyridin-4-yl-1,3-thiazole

C17H15N3O2S2 — CID 31263057

IUPAC4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-2-pyridin-4-yl-1,3-thiazole
SMILESCS(=O)(=O)N1CCc2cc(-c3csc(-c4ccncc4)n3)ccc21
InChIInChI=1S/C17H15N3O2S2/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/h2-5,7-8,10-11H,6,9H2,1H3
InChIKeyDPAQIJFJPWYKPK-UHFFFAOYSA-N
MW357.46 g/mol
LogP3.19
Rot. Bonds3

About 4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-2-pyridin-4-yl-1,3-thiazole

4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-2-pyridin-4-yl-1,3-thiazole (PubChem CID 31263057) has the molecular formula C17H15N3O2S2 and a molecular weight of 357.46 g/mol. Its IUPAC name is 4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-2-pyridin-4-yl-1,3-thiazole.

Molecular Properties

Compound Name4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-2-pyridin-4-yl-1,3-thiazole
PubChem CID31263057
Molecular FormulaC17H15N3O2S2
Molecular Weight357.46 g/mol
Exact Mass357.06
IUPAC Name4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-2-pyridin-4-yl-1,3-thiazole
SMILESCS(=O)(=O)N1CCc2cc(-c3csc(-c4ccncc4)n3)ccc21
InChIInChI=1S/C17H15N3O2S2/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/h2-5,7-8,10-11H,6,9H2,1H3
InChIKeyDPAQIJFJPWYKPK-UHFFFAOYSA-N
XLogP3.19
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 53.19
H-Bond Donors ≤ 50
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-pyridin-4-yl-1,3-thiazole?
The IUPAC name of 4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-2-pyridin-4-yl-1,3-thiazole (CID 31263057) is 4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-2-pyridin-4-yl-1,3-thiazole.
What is the SMILES notation for 4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-2-pyridin-4-yl-1,3-thiazole?
The canonical SMILES for 4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-2-pyridin-4-yl-1,3-thiazole is CS(=O)(=O)N1CCc2cc(-c3csc(-c4ccncc4)n3)ccc21.
What is the InChIKey of 4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-2-pyridin-4-yl-1,3-thiazole?
The InChIKey is DPAQIJFJPWYKPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2S2/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/h2-5,7-8,10-11H,6,9H2,1H3.
What are the key properties of 4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-2-pyridin-4-yl-1,3-thiazole?
4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-2-pyridin-4-yl-1,3-thiazole has a molecular weight of 357.46 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 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-pyridin-4-yl-1,3-thiazole is sourced from PubChem (CID 31263057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).