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

C18H17N3O2S2 — CID 1033156

IUPAC2-pyridin-3-yl-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazole
SMILESO=S(=O)(c1ccc(-c2csc(-c3cccnc3)n2)cc1)N1CCCC1
InChIInChI=1S/C18H17N3O2S2/c22-25(23,21-10-1-2-11-21)16-7-5-14(6-8-16)17-13-24-18(20-17)15-4-3-9-19-12-15/h3-9,12-13H,1-2,10-11H2
InChIKeyLNGCCBILHXCZLI-UHFFFAOYSA-N
MW371.49 g/mol
LogP3.66
Rot. Bonds4

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

2-pyridin-3-yl-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazole (PubChem CID 1033156) has the molecular formula C18H17N3O2S2 and a molecular weight of 371.49 g/mol. Its IUPAC name is 2-pyridin-3-yl-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-pyridin-3-yl-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazole
PubChem CID1033156
Molecular FormulaC18H17N3O2S2
Molecular Weight371.49 g/mol
Exact Mass371.08
IUPAC Name2-pyridin-3-yl-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazole
SMILESO=S(=O)(c1ccc(-c2csc(-c3cccnc3)n2)cc1)N1CCCC1
InChIInChI=1S/C18H17N3O2S2/c22-25(23,21-10-1-2-11-21)16-7-5-14(6-8-16)17-13-24-18(20-17)15-4-3-9-19-12-15/h3-9,12-13H,1-2,10-11H2
InChIKeyLNGCCBILHXCZLI-UHFFFAOYSA-N
XLogP3.66
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-pyridin-3-yl-4-(4-pyrrolidin-1-ylsulfonylphenyl)-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 2-pyridin-3-yl-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazole?
The IUPAC name of 2-pyridin-3-yl-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazole (CID 1033156) is 2-pyridin-3-yl-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazole.
What is the SMILES notation for 2-pyridin-3-yl-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazole?
The canonical SMILES for 2-pyridin-3-yl-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazole is O=S(=O)(c1ccc(-c2csc(-c3cccnc3)n2)cc1)N1CCCC1.
What is the InChIKey of 2-pyridin-3-yl-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazole?
The InChIKey is LNGCCBILHXCZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S2/c22-25(23,21-10-1-2-11-21)16-7-5-14(6-8-16)17-13-24-18(20-17)15-4-3-9-19-12-15/h3-9,12-13H,1-2,10-11H2.
What are the key properties of 2-pyridin-3-yl-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazole?
2-pyridin-3-yl-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazole has a molecular weight of 371.49 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazole is sourced from PubChem (CID 1033156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).