3-phenyl-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]propane-1-sulfonamide

C19H21N3O2S2 — CID 110317613

IUPAC3-phenyl-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]propane-1-sulfonamide
SMILESO=S(=O)(CCCc1ccccc1)NCCc1nc(-c2ccccn2)cs1
InChIInChI=1S/C19H21N3O2S2/c23-26(24,14-6-9-16-7-2-1-3-8-16)21-13-11-19-22-18(15-25-19)17-10-4-5-12-20-17/h1-5,7-8,10,12,15,21H,6,9,11,13-14H2
InChIKeyPDOXDTHYNPGYPK-UHFFFAOYSA-N
MW387.53 g/mol
LogP3.30
Rot. Bonds9

About 3-phenyl-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]propane-1-sulfonamide

3-phenyl-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]propane-1-sulfonamide (PubChem CID 110317613) has the molecular formula C19H21N3O2S2 and a molecular weight of 387.53 g/mol. Its IUPAC name is 3-phenyl-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]propane-1-sulfonamide.

Molecular Properties

Compound Name3-phenyl-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]propane-1-sulfonamide
PubChem CID110317613
Molecular FormulaC19H21N3O2S2
Molecular Weight387.53 g/mol
Exact Mass387.11
IUPAC Name3-phenyl-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]propane-1-sulfonamide
SMILESO=S(=O)(CCCc1ccccc1)NCCc1nc(-c2ccccn2)cs1
InChIInChI=1S/C19H21N3O2S2/c23-26(24,14-6-9-16-7-2-1-3-8-16)21-13-11-19-22-18(15-25-19)17-10-4-5-12-20-17/h1-5,7-8,10,12,15,21H,6,9,11,13-14H2
InChIKeyPDOXDTHYNPGYPK-UHFFFAOYSA-N
XLogP3.30
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-phenyl-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]propane-1-sulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]butane-1-sulfonamide
CID 110317579
3-methyl-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 110317603
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-phenylethanesulfonamide
CID 110739268
N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
CID 110317951
N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]acetamide
CID 110317508
N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]pentan-1-amine
CID 82102804
1-phenyl-3-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]urea
CID 110317549
N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]furan-2-carboxamide
CID 110317519
N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3-phenylpropane-1-sulfonamide
CID 110718507
methyl N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]carbamate
CID 110317565
N-(3-phenylpropyl)-2-pyridin-2-ylethanesulfonamide
CID 74224453
3-phenyl-N-[2-(1,3-thiazol-5-yl)ethyl]propane-1-sulfonamide
CID 110717616

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]propane-1-sulfonamide?
The IUPAC name of 3-phenyl-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]propane-1-sulfonamide (CID 110317613) is 3-phenyl-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]propane-1-sulfonamide.
What is the SMILES notation for 3-phenyl-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]propane-1-sulfonamide?
The canonical SMILES for 3-phenyl-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]propane-1-sulfonamide is O=S(=O)(CCCc1ccccc1)NCCc1nc(-c2ccccn2)cs1.
What is the InChIKey of 3-phenyl-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]propane-1-sulfonamide?
The InChIKey is PDOXDTHYNPGYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S2/c23-26(24,14-6-9-16-7-2-1-3-8-16)21-13-11-19-22-18(15-25-19)17-10-4-5-12-20-17/h1-5,7-8,10,12,15,21H,6,9,11,13-14H2.
What are the key properties of 3-phenyl-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]propane-1-sulfonamide?
3-phenyl-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]propane-1-sulfonamide has a molecular weight of 387.53 g/mol, XLogP of 3.30, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]propane-1-sulfonamide is sourced from PubChem (CID 110317613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).