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

C14H19N3O2S2 — CID 63283976

IUPAC4-[1-(methylamino)ethyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
SMILESCNC(C)c1ccc(S(=O)(=O)NCc2scnc2C)cc1
InChIInChI=1S/C14H19N3O2S2/c1-10(15-3)12-4-6-13(7-5-12)21(18,19)17-8-14-11(2)16-9-20-14/h4-7,9-10,15,17H,8H2,1-3H3
InChIKeyJLZADNWWHFFHGD-UHFFFAOYSA-N
MW325.46 g/mol
LogP2.21
Rot. Bonds6

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

4-[1-(methylamino)ethyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide (PubChem CID 63283976) has the molecular formula C14H19N3O2S2 and a molecular weight of 325.46 g/mol. Its IUPAC name is 4-[1-(methylamino)ethyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[1-(methylamino)ethyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
PubChem CID63283976
Molecular FormulaC14H19N3O2S2
Molecular Weight325.46 g/mol
Exact Mass325.09
IUPAC Name4-[1-(methylamino)ethyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
SMILESCNC(C)c1ccc(S(=O)(=O)NCc2scnc2C)cc1
InChIInChI=1S/C14H19N3O2S2/c1-10(15-3)12-4-6-13(7-5-12)21(18,19)17-8-14-11(2)16-9-20-14/h4-7,9-10,15,17H,8H2,1-3H3
InChIKeyJLZADNWWHFFHGD-UHFFFAOYSA-N
XLogP2.21
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 52.21
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
2-(methylamino)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-5-sulfonamide
CID 63283908
6-hydrazinyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-3-sulfonamide
CID 63284073
N-[(4-methyl-1,3-thiazol-5-yl)methyl]propane-2-sulfonamide
CID 63373679
2-amino-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-4-sulfonamide
CID 63283647
N-ethyl-4-[(4-methyl-1,3-thiazol-5-yl)methylamino]benzenesulfonamide
CID 63280983
3-amino-4,5-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 63279899
4-[(4-methyl-1,3-thiazol-5-yl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 55248975
4-tert-butyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide
CID 110718513
formaldehyde;N-methyl-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine
CID 163374182
(1S)-1-(4-methoxyphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 81371084
(1S)-N-methyl-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine;hydrochloride
CID 156873324

Frequently Asked Questions

What is the IUPAC name of 4-[1-(methylamino)ethyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-[1-(methylamino)ethyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide (CID 63283976) is 4-[1-(methylamino)ethyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-[1-(methylamino)ethyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-[1-(methylamino)ethyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide is CNC(C)c1ccc(S(=O)(=O)NCc2scnc2C)cc1.
What is the InChIKey of 4-[1-(methylamino)ethyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide?
The InChIKey is JLZADNWWHFFHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S2/c1-10(15-3)12-4-6-13(7-5-12)21(18,19)17-8-14-11(2)16-9-20-14/h4-7,9-10,15,17H,8H2,1-3H3.
What are the key properties of 4-[1-(methylamino)ethyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide?
4-[1-(methylamino)ethyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide has a molecular weight of 325.46 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(methylamino)ethyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 63283976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).