N-ethyl-4-[(4-methyl-1,3-thiazol-5-yl)methylamino]benzenesulfonamide

C13H17N3O2S2 — CID 63280983

IUPACN-ethyl-4-[(4-methyl-1,3-thiazol-5-yl)methylamino]benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(NCc2scnc2C)cc1
InChIInChI=1S/C13H17N3O2S2/c1-3-16-20(17,18)12-6-4-11(5-7-12)14-8-13-10(2)15-9-19-13/h4-7,9,14,16H,3,8H2,1-2H3
InChIKeyMFWCSMZTCHPGPK-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.36
Rot. Bonds6

About N-ethyl-4-[(4-methyl-1,3-thiazol-5-yl)methylamino]benzenesulfonamide

N-ethyl-4-[(4-methyl-1,3-thiazol-5-yl)methylamino]benzenesulfonamide (PubChem CID 63280983) has the molecular formula C13H17N3O2S2 and a molecular weight of 311.43 g/mol. Its IUPAC name is N-ethyl-4-[(4-methyl-1,3-thiazol-5-yl)methylamino]benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-4-[(4-methyl-1,3-thiazol-5-yl)methylamino]benzenesulfonamide
PubChem CID63280983
Molecular FormulaC13H17N3O2S2
Molecular Weight311.43 g/mol
Exact Mass311.08
IUPAC NameN-ethyl-4-[(4-methyl-1,3-thiazol-5-yl)methylamino]benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(NCc2scnc2C)cc1
InChIInChI=1S/C13H17N3O2S2/c1-3-16-20(17,18)12-6-4-11(5-7-12)14-8-13-10(2)15-9-19-13/h4-7,9,14,16H,3,8H2,1-2H3
InChIKeyMFWCSMZTCHPGPK-UHFFFAOYSA-N
XLogP2.36
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(methylamino)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 63283497
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-nitroaniline
CID 55170524
6-hydrazinyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-3-sulfonamide
CID 63284073
4-[1-(methylamino)ethyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 63283976
2-amino-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-4-sulfonamide
CID 63283647
4-tert-butyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide
CID 110718513
2-(methylamino)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-5-sulfonamide
CID 63283908
N-ethyl-4-[(6-methyl-2-pyridinyl)methylamino]benzenesulfonamide
CID 62308229
N-ethyl-4-(propylamino)benzenesulfonamide
CID 43453948
4-[(4-chlorophenyl)methylamino]-N-ethylbenzenesulfonamide
CID 43453946
N-ethyl-4-[(1-ethylimidazol-2-yl)methylamino]benzenesulfonamide
CID 62349942
N-ethyl-4-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzenesulfonamide
CID 106048432

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[(4-methyl-1,3-thiazol-5-yl)methylamino]benzenesulfonamide?
The IUPAC name of N-ethyl-4-[(4-methyl-1,3-thiazol-5-yl)methylamino]benzenesulfonamide (CID 63280983) is N-ethyl-4-[(4-methyl-1,3-thiazol-5-yl)methylamino]benzenesulfonamide.
What is the SMILES notation for N-ethyl-4-[(4-methyl-1,3-thiazol-5-yl)methylamino]benzenesulfonamide?
The canonical SMILES for N-ethyl-4-[(4-methyl-1,3-thiazol-5-yl)methylamino]benzenesulfonamide is CCNS(=O)(=O)c1ccc(NCc2scnc2C)cc1.
What is the InChIKey of N-ethyl-4-[(4-methyl-1,3-thiazol-5-yl)methylamino]benzenesulfonamide?
The InChIKey is MFWCSMZTCHPGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S2/c1-3-16-20(17,18)12-6-4-11(5-7-12)14-8-13-10(2)15-9-19-13/h4-7,9,14,16H,3,8H2,1-2H3.
What are the key properties of N-ethyl-4-[(4-methyl-1,3-thiazol-5-yl)methylamino]benzenesulfonamide?
N-ethyl-4-[(4-methyl-1,3-thiazol-5-yl)methylamino]benzenesulfonamide has a molecular weight of 311.43 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[(4-methyl-1,3-thiazol-5-yl)methylamino]benzenesulfonamide is sourced from PubChem (CID 63280983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).