N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methylsulfanylbenzenesulfonamide

C14H18N2O2S3 — CID 86817582

IUPACN-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methylsulfanylbenzenesulfonamide
SMILESCSc1ccccc1S(=O)(=O)NCCc1sc(C)nc1C
InChIInChI=1S/C14H18N2O2S3/c1-10-12(20-11(2)16-10)8-9-15-21(17,18)14-7-5-4-6-13(14)19-3/h4-7,15H,8-9H2,1-3H3
InChIKeyRBGOGENYVDSAJF-UHFFFAOYSA-N
MW342.51 g/mol
LogP3.00
Rot. Bonds6

About N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methylsulfanylbenzenesulfonamide

N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methylsulfanylbenzenesulfonamide (PubChem CID 86817582) has the molecular formula C14H18N2O2S3 and a molecular weight of 342.51 g/mol. Its IUPAC name is N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methylsulfanylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methylsulfanylbenzenesulfonamide
PubChem CID86817582
Molecular FormulaC14H18N2O2S3
Molecular Weight342.51 g/mol
Exact Mass342.05
IUPAC NameN-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methylsulfanylbenzenesulfonamide
SMILESCSc1ccccc1S(=O)(=O)NCCc1sc(C)nc1C
InChIInChI=1S/C14H18N2O2S3/c1-10-12(20-11(2)16-10)8-9-15-21(17,18)14-7-5-4-6-13(14)19-3/h4-7,15H,8-9H2,1-3H3
InChIKeyRBGOGENYVDSAJF-UHFFFAOYSA-N
XLogP3.00
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.51
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dichloro-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide
CID 110395152
2-fluoro-N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzenesulfonamide
CID 7503085
N-(3-aminobutyl)-2-methylsulfanylbenzenesulfonamide
CID 120708577
N-[2-(ethylamino)ethyl]-2-methylsulfanylbenzenesulfonamide
CID 120708847
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-ethoxybenzenesulfonamide
CID 121122995
3-acetyl-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide
CID 110395197
N-(2-amino-2-methylpropyl)-2-methylsulfanylbenzenesulfonamide;hydrochloride
CID 120711544
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-methylquinoline-8-sulfonamide
CID 121122988
N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]butane-1-sulfonamide
CID 110395145
N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzenesulfonamide
CID 7503062
N-[2-(2-methoxyethylamino)ethyl]-2-methylsulfanylbenzenesulfonamide;hydrochloride
CID 120717757
N-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-4-phenylbenzenesulfonamide
CID 18563013

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methylsulfanylbenzenesulfonamide?
The IUPAC name of N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methylsulfanylbenzenesulfonamide (CID 86817582) is N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methylsulfanylbenzenesulfonamide.
What is the SMILES notation for N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methylsulfanylbenzenesulfonamide?
The canonical SMILES for N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methylsulfanylbenzenesulfonamide is CSc1ccccc1S(=O)(=O)NCCc1sc(C)nc1C.
What is the InChIKey of N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methylsulfanylbenzenesulfonamide?
The InChIKey is RBGOGENYVDSAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S3/c1-10-12(20-11(2)16-10)8-9-15-21(17,18)14-7-5-4-6-13(14)19-3/h4-7,15H,8-9H2,1-3H3.
What are the key properties of N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methylsulfanylbenzenesulfonamide?
N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methylsulfanylbenzenesulfonamide has a molecular weight of 342.51 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methylsulfanylbenzenesulfonamide is sourced from PubChem (CID 86817582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).