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

C17H17N3O2S2 — CID 110317740

IUPAC2-methyl-N-[2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)NCCc1nc(-c2cccnc2)cs1
InChIInChI=1S/C17H17N3O2S2/c1-13-5-2-3-7-16(13)24(21,22)19-10-8-17-20-15(12-23-17)14-6-4-9-18-11-14/h2-7,9,11-12,19H,8,10H2,1H3
InChIKeyAKFBGXNTGZDCCY-UHFFFAOYSA-N
MW359.48 g/mol
LogP3.03
Rot. Bonds6

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

2-methyl-N-[2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide (PubChem CID 110317740) has the molecular formula C17H17N3O2S2 and a molecular weight of 359.48 g/mol. Its IUPAC name is 2-methyl-N-[2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-N-[2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
PubChem CID110317740
Molecular FormulaC17H17N3O2S2
Molecular Weight359.48 g/mol
Exact Mass359.08
IUPAC Name2-methyl-N-[2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)NCCc1nc(-c2cccnc2)cs1
InChIInChI=1S/C17H17N3O2S2/c1-13-5-2-3-7-16(13)24(21,22)19-10-8-17-20-15(12-23-17)14-6-4-9-18-11-14/h2-7,9,11-12,19H,8,10H2,1H3
InChIKeyAKFBGXNTGZDCCY-UHFFFAOYSA-N
XLogP3.03
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.48
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-[2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 110317708
2-methyl-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
CID 110318286
N-methyl-2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethanamine
CID 62543899
2,4-dimethyl-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 110317831
N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 54773762
2,2-dimethyl-N-[2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]propanamide
CID 110317630
N-methyl-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propan-1-amine
CID 116965021
2-methyl-4-(4-pyridin-3-yl-1,3-thiazol-2-yl)butan-2-amine
CID 116965254
2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethanamine
CID 24690096
N-(2,6-dimethylphenyl)-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
CID 110649753
N-(pyridin-4-ylmethyl)-2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethanamine
CID 82103434
4-fluoro-2-methyl-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 110285025

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 2-methyl-N-[2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide (CID 110317740) is 2-methyl-N-[2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2-methyl-N-[2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 2-methyl-N-[2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide is Cc1ccccc1S(=O)(=O)NCCc1nc(-c2cccnc2)cs1.
What is the InChIKey of 2-methyl-N-[2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide?
The InChIKey is AKFBGXNTGZDCCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S2/c1-13-5-2-3-7-16(13)24(21,22)19-10-8-17-20-15(12-23-17)14-6-4-9-18-11-14/h2-7,9,11-12,19H,8,10H2,1H3.
What are the key properties of 2-methyl-N-[2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide?
2-methyl-N-[2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide has a molecular weight of 359.48 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 110317740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).