3-[4-(4-ethyl-3-pyridinyl)-1,3-thiazol-2-yl]benzenesulfonamide

C16H15N3O2S2 — CID 22049774

IUPAC3-[4-(4-ethyl-3-pyridinyl)-1,3-thiazol-2-yl]benzenesulfonamide
SMILESCCc1ccncc1-c1csc(-c2cccc(S(N)(=O)=O)c2)n1
InChIInChI=1S/C16H15N3O2S2/c1-2-11-6-7-18-9-14(11)15-10-22-16(19-15)12-4-3-5-13(8-12)23(17,20)21/h3-10H,2H2,1H3,(H2,17,20,21)
InChIKeyCSEBHYBYCHDCOU-UHFFFAOYSA-N
MW345.45 g/mol
LogP3.08
Rot. Bonds4

About 3-[4-(4-ethyl-3-pyridinyl)-1,3-thiazol-2-yl]benzenesulfonamide

3-[4-(4-ethyl-3-pyridinyl)-1,3-thiazol-2-yl]benzenesulfonamide (PubChem CID 22049774) has the molecular formula C16H15N3O2S2 and a molecular weight of 345.45 g/mol. Its IUPAC name is 3-[4-(4-ethyl-3-pyridinyl)-1,3-thiazol-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-[4-(4-ethyl-3-pyridinyl)-1,3-thiazol-2-yl]benzenesulfonamide
PubChem CID22049774
Molecular FormulaC16H15N3O2S2
Molecular Weight345.45 g/mol
Exact Mass345.06
IUPAC Name3-[4-(4-ethyl-3-pyridinyl)-1,3-thiazol-2-yl]benzenesulfonamide
SMILESCCc1ccncc1-c1csc(-c2cccc(S(N)(=O)=O)c2)n1
InChIInChI=1S/C16H15N3O2S2/c1-2-11-6-7-18-9-14(11)15-10-22-16(19-15)12-4-3-5-13(8-12)23(17,20)21/h3-10H,2H2,1H3,(H2,17,20,21)
InChIKeyCSEBHYBYCHDCOU-UHFFFAOYSA-N
XLogP3.08
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Fatostatin
CID 1889993
4-Phenyl-2-(4-pyridyl)thiazole
CID 738483
N-(4-(2-(2-propylpyridin-4-yl)thiazol-4-yl)phenyl)methanesulfonamide
CID 25012898
3-(4-Methyl-1,3-thiazol-2-yl)pyridine
CID 1201554
4-Phenyl-2-(pyridin-3-yl)thiazole
CID 701015
2-Phenyl-5-(2-methylthiazol-4ylethynyl)pyridine
CID 44392990
2-Methyl-4-(3-pyridyl)thiazole
CID 600616
4-(4-Pyridin-3-yl-thiazol-2-ylamino)-benzenesulfonamide
CID 3120504
4-[2-Ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]pyridine
CID 11277481
5-(2-Methyl-thiazol-4-ylethynyl)-[3,3'''']bipyridinyl
CID 44392969
3-[2-(Pyridin-4-yl)-1,3-thiazol-4-yl]pyridine
CID 57384102
4-(3,4-Difluorophenyl)-2-pyridin-3-yl-1,3-thiazole
CID 2800024

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-ethyl-3-pyridinyl)-1,3-thiazol-2-yl]benzenesulfonamide?
The IUPAC name of 3-[4-(4-ethyl-3-pyridinyl)-1,3-thiazol-2-yl]benzenesulfonamide (CID 22049774) is 3-[4-(4-ethyl-3-pyridinyl)-1,3-thiazol-2-yl]benzenesulfonamide.
What is the SMILES notation for 3-[4-(4-ethyl-3-pyridinyl)-1,3-thiazol-2-yl]benzenesulfonamide?
The canonical SMILES for 3-[4-(4-ethyl-3-pyridinyl)-1,3-thiazol-2-yl]benzenesulfonamide is CCc1ccncc1-c1csc(-c2cccc(S(N)(=O)=O)c2)n1.
What is the InChIKey of 3-[4-(4-ethyl-3-pyridinyl)-1,3-thiazol-2-yl]benzenesulfonamide?
The InChIKey is CSEBHYBYCHDCOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S2/c1-2-11-6-7-18-9-14(11)15-10-22-16(19-15)12-4-3-5-13(8-12)23(17,20)21/h3-10H,2H2,1H3,(H2,17,20,21).
What are the key properties of 3-[4-(4-ethyl-3-pyridinyl)-1,3-thiazol-2-yl]benzenesulfonamide?
3-[4-(4-ethyl-3-pyridinyl)-1,3-thiazol-2-yl]benzenesulfonamide has a molecular weight of 345.45 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-ethyl-3-pyridinyl)-1,3-thiazol-2-yl]benzenesulfonamide is sourced from PubChem (CID 22049774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).