4-ethyl-N-(4-methyl-5-pyridin-3-yl-1,3-thiazol-2-yl)benzenesulfonamide

C17H17N3O2S2 — CID 110665972

IUPAC4-ethyl-N-(4-methyl-5-pyridin-3-yl-1,3-thiazol-2-yl)benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2nc(C)c(-c3cccnc3)s2)cc1
InChIInChI=1S/C17H17N3O2S2/c1-3-13-6-8-15(9-7-13)24(21,22)20-17-19-12(2)16(23-17)14-5-4-10-18-11-14/h4-11H,3H2,1-2H3,(H,19,20)
InChIKeyIHSQDBDYHUMFCH-UHFFFAOYSA-N
MW359.48 g/mol
LogP3.88
Rot. Bonds5

About 4-ethyl-N-(4-methyl-5-pyridin-3-yl-1,3-thiazol-2-yl)benzenesulfonamide

4-ethyl-N-(4-methyl-5-pyridin-3-yl-1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 110665972) has the molecular formula C17H17N3O2S2 and a molecular weight of 359.48 g/mol. Its IUPAC name is 4-ethyl-N-(4-methyl-5-pyridin-3-yl-1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-ethyl-N-(4-methyl-5-pyridin-3-yl-1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID110665972
Molecular FormulaC17H17N3O2S2
Molecular Weight359.48 g/mol
Exact Mass359.08
IUPAC Name4-ethyl-N-(4-methyl-5-pyridin-3-yl-1,3-thiazol-2-yl)benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2nc(C)c(-c3cccnc3)s2)cc1
InChIInChI=1S/C17H17N3O2S2/c1-3-13-6-8-15(9-7-13)24(21,22)20-17-19-12(2)16(23-17)14-5-4-10-18-11-14/h4-11H,3H2,1-2H3,(H,19,20)
InChIKeyIHSQDBDYHUMFCH-UHFFFAOYSA-N
XLogP3.88
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.48
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-(2-(2-propylpyridin-4-yl)thiazol-4-yl)phenyl)methanesulfonamide
CID 25012898
(4-Phenyl-thiazol-2-yl)-pyridin-2-yl-amine
CID 750531
4-(4-Pyridin-3-yl-thiazol-2-ylamino)-benzenesulfonamide
CID 3120504
N-(2-ethylphenyl)-4-(pyridin-3-yl)-1,3-thiazol-2-amine
CID 746667
N-(1,3-Thiazol-2-yl)pyridin-2-amine 14
CID 5329327
N-(6-methylpyridin-2-yl)-5-phenyl-1,3-thiazol-2-amine
CID 5329394
(5-Methyl-pyridin-2-yl)-(4-phenyl-thiazol-2-yl)-amine
CID 972993
2-(3-Pyridinyl)-4-[4-(1-pyrrolidinylsulfonyl)phenyl]thiazole
CID 1033156
Isonicotinaldehyde (4-phenyl-1,3-thiazol-2-yl)hydrazone
CID 9572803
2,4,6-trimethyl-N-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide
CID 7202342
N-(phenylmethyl)-4-(3-pyridinyl)-2-thiazolamine
CID 746646
(3-Methyl-pyridin-2-yl)-(4-phenyl-thiazol-2-yl)-amine
CID 1092429

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(4-methyl-5-pyridin-3-yl-1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-ethyl-N-(4-methyl-5-pyridin-3-yl-1,3-thiazol-2-yl)benzenesulfonamide (CID 110665972) is 4-ethyl-N-(4-methyl-5-pyridin-3-yl-1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-ethyl-N-(4-methyl-5-pyridin-3-yl-1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-ethyl-N-(4-methyl-5-pyridin-3-yl-1,3-thiazol-2-yl)benzenesulfonamide is CCc1ccc(S(=O)(=O)Nc2nc(C)c(-c3cccnc3)s2)cc1.
What is the InChIKey of 4-ethyl-N-(4-methyl-5-pyridin-3-yl-1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is IHSQDBDYHUMFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S2/c1-3-13-6-8-15(9-7-13)24(21,22)20-17-19-12(2)16(23-17)14-5-4-10-18-11-14/h4-11H,3H2,1-2H3,(H,19,20).
What are the key properties of 4-ethyl-N-(4-methyl-5-pyridin-3-yl-1,3-thiazol-2-yl)benzenesulfonamide?
4-ethyl-N-(4-methyl-5-pyridin-3-yl-1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 359.48 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(4-methyl-5-pyridin-3-yl-1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 110665972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).