4-(4-piperidin-1-ylsulfonylphenyl)-2-pyridin-3-yl-1,3-thiazole

C19H19N3O2S2 — CID 1083196

IUPAC4-(4-piperidin-1-ylsulfonylphenyl)-2-pyridin-3-yl-1,3-thiazole
SMILESO=S(=O)(c1ccc(-c2csc(-c3cccnc3)n2)cc1)N1CCCCC1
InChIInChI=1S/C19H19N3O2S2/c23-26(24,22-11-2-1-3-12-22)17-8-6-15(7-9-17)18-14-25-19(21-18)16-5-4-10-20-13-16/h4-10,13-14H,1-3,11-12H2
InChIKeyDORUKQXMAKRFRF-UHFFFAOYSA-N
MW385.51 g/mol
LogP4.05
Rot. Bonds4

About 4-(4-piperidin-1-ylsulfonylphenyl)-2-pyridin-3-yl-1,3-thiazole

4-(4-piperidin-1-ylsulfonylphenyl)-2-pyridin-3-yl-1,3-thiazole (PubChem CID 1083196) has the molecular formula C19H19N3O2S2 and a molecular weight of 385.51 g/mol. Its IUPAC name is 4-(4-piperidin-1-ylsulfonylphenyl)-2-pyridin-3-yl-1,3-thiazole.

Molecular Properties

Compound Name4-(4-piperidin-1-ylsulfonylphenyl)-2-pyridin-3-yl-1,3-thiazole
PubChem CID1083196
Molecular FormulaC19H19N3O2S2
Molecular Weight385.51 g/mol
Exact Mass385.09
IUPAC Name4-(4-piperidin-1-ylsulfonylphenyl)-2-pyridin-3-yl-1,3-thiazole
SMILESO=S(=O)(c1ccc(-c2csc(-c3cccnc3)n2)cc1)N1CCCCC1
InChIInChI=1S/C19H19N3O2S2/c23-26(24,22-11-2-1-3-12-22)17-8-6-15(7-9-17)18-14-25-19(21-18)16-5-4-10-20-13-16/h4-10,13-14H,1-3,11-12H2
InChIKeyDORUKQXMAKRFRF-UHFFFAOYSA-N
XLogP4.05
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(4-piperidin-1-ylsulfonylphenyl)-2-pyridin-3-yl-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-piperidin-1-ylsulfonylphenyl)-2-pyridin-3-yl-1,3-thiazole?
The IUPAC name of 4-(4-piperidin-1-ylsulfonylphenyl)-2-pyridin-3-yl-1,3-thiazole (CID 1083196) is 4-(4-piperidin-1-ylsulfonylphenyl)-2-pyridin-3-yl-1,3-thiazole.
What is the SMILES notation for 4-(4-piperidin-1-ylsulfonylphenyl)-2-pyridin-3-yl-1,3-thiazole?
The canonical SMILES for 4-(4-piperidin-1-ylsulfonylphenyl)-2-pyridin-3-yl-1,3-thiazole is O=S(=O)(c1ccc(-c2csc(-c3cccnc3)n2)cc1)N1CCCCC1.
What is the InChIKey of 4-(4-piperidin-1-ylsulfonylphenyl)-2-pyridin-3-yl-1,3-thiazole?
The InChIKey is DORUKQXMAKRFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S2/c23-26(24,22-11-2-1-3-12-22)17-8-6-15(7-9-17)18-14-25-19(21-18)16-5-4-10-20-13-16/h4-10,13-14H,1-3,11-12H2.
What are the key properties of 4-(4-piperidin-1-ylsulfonylphenyl)-2-pyridin-3-yl-1,3-thiazole?
4-(4-piperidin-1-ylsulfonylphenyl)-2-pyridin-3-yl-1,3-thiazole has a molecular weight of 385.51 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-piperidin-1-ylsulfonylphenyl)-2-pyridin-3-yl-1,3-thiazole is sourced from PubChem (CID 1083196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).