N,N-dimethyl-4-(2-pyridin-3-yl-1,3-thiazol-4-yl)benzenesulfonamide

C16H15N3O2S2 — CID 756543

IUPACN,N-dimethyl-4-(2-pyridin-3-yl-1,3-thiazol-4-yl)benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(-c2csc(-c3cccnc3)n2)cc1
InChIInChI=1S/C16H15N3O2S2/c1-19(2)23(20,21)14-7-5-12(6-8-14)15-11-22-16(18-15)13-4-3-9-17-10-13/h3-11H,1-2H3
InChIKeyOJDVGBGSOPBGPJ-UHFFFAOYSA-N
MW345.45 g/mol
LogP3.12
Rot. Bonds4

About N,N-dimethyl-4-(2-pyridin-3-yl-1,3-thiazol-4-yl)benzenesulfonamide

N,N-dimethyl-4-(2-pyridin-3-yl-1,3-thiazol-4-yl)benzenesulfonamide (PubChem CID 756543) has the molecular formula C16H15N3O2S2 and a molecular weight of 345.45 g/mol. Its IUPAC name is N,N-dimethyl-4-(2-pyridin-3-yl-1,3-thiazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-(2-pyridin-3-yl-1,3-thiazol-4-yl)benzenesulfonamide
PubChem CID756543
Molecular FormulaC16H15N3O2S2
Molecular Weight345.45 g/mol
Exact Mass345.06
IUPAC NameN,N-dimethyl-4-(2-pyridin-3-yl-1,3-thiazol-4-yl)benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(-c2csc(-c3cccnc3)n2)cc1
InChIInChI=1S/C16H15N3O2S2/c1-19(2)23(20,21)14-7-5-12(6-8-14)15-11-22-16(18-15)13-4-3-9-17-10-13/h3-11H,1-2H3
InChIKeyOJDVGBGSOPBGPJ-UHFFFAOYSA-N
XLogP3.12
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 53.12
H-Bond Donors ≤ 50
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-[2-Ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]pyridine
CID 11277481
2-(4-(Methylsulfonyl)phenyl)pyridine
CID 46937403
6-Isopropyl-8-(3-(2-(4-(methylsulfonyl)phenyl)-2-(thiazol-2-yl)vinyl)phenyl)quinoline
CID 22083724
5-(2-Methyl-thiazol-4-ylethynyl)-[3,3'''']bipyridinyl
CID 44392969
3-[2-(Pyridin-4-yl)-1,3-thiazol-4-yl]pyridine
CID 57384102

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(2-pyridin-3-yl-1,3-thiazol-4-yl)benzenesulfonamide?
The IUPAC name of N,N-dimethyl-4-(2-pyridin-3-yl-1,3-thiazol-4-yl)benzenesulfonamide (CID 756543) is N,N-dimethyl-4-(2-pyridin-3-yl-1,3-thiazol-4-yl)benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-4-(2-pyridin-3-yl-1,3-thiazol-4-yl)benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-4-(2-pyridin-3-yl-1,3-thiazol-4-yl)benzenesulfonamide is CN(C)S(=O)(=O)c1ccc(-c2csc(-c3cccnc3)n2)cc1.
What is the InChIKey of N,N-dimethyl-4-(2-pyridin-3-yl-1,3-thiazol-4-yl)benzenesulfonamide?
The InChIKey is OJDVGBGSOPBGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S2/c1-19(2)23(20,21)14-7-5-12(6-8-14)15-11-22-16(18-15)13-4-3-9-17-10-13/h3-11H,1-2H3.
What are the key properties of N,N-dimethyl-4-(2-pyridin-3-yl-1,3-thiazol-4-yl)benzenesulfonamide?
N,N-dimethyl-4-(2-pyridin-3-yl-1,3-thiazol-4-yl)benzenesulfonamide has a molecular weight of 345.45 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(2-pyridin-3-yl-1,3-thiazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 756543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).