6-(methylamino)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide

C12H16N4O2S2 — CID 63245102

IUPAC6-(methylamino)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide
SMILESCNc1ccc(S(=O)(=O)NCCc2nc(C)cs2)cn1
InChIInChI=1S/C12H16N4O2S2/c1-9-8-19-12(16-9)5-6-15-20(17,18)10-3-4-11(13-2)14-7-10/h3-4,7-8,15H,5-6H2,1-2H3,(H,13,14)
InChIKeyDADACUNMIRCKCS-UHFFFAOYSA-N
MW312.42 g/mol
LogP1.41
Rot. Bonds6

About 6-(methylamino)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide

6-(methylamino)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide (PubChem CID 63245102) has the molecular formula C12H16N4O2S2 and a molecular weight of 312.42 g/mol. Its IUPAC name is 6-(methylamino)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(methylamino)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide
PubChem CID63245102
Molecular FormulaC12H16N4O2S2
Molecular Weight312.42 g/mol
Exact Mass312.07
IUPAC Name6-(methylamino)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide
SMILESCNc1ccc(S(=O)(=O)NCCc2nc(C)cs2)cn1
InChIInChI=1S/C12H16N4O2S2/c1-9-8-19-12(16-9)5-6-15-20(17,18)10-3-4-11(13-2)14-7-10/h3-4,7-8,15H,5-6H2,1-2H3,(H,13,14)
InChIKeyDADACUNMIRCKCS-UHFFFAOYSA-N
XLogP1.41
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3,4-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 110739236
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-(propylamino)pyridine-3-sulfonamide
CID 62158645
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-pyrazole-4-sulfonamide
CID 47371845
4-(cyanomethyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 79203421
3-(methylamino)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-2-sulfonamide
CID 103305937
6-(methylamino)-N-[2-(2-methylphenyl)ethyl]pyridine-3-sulfonamide
CID 79755229
1-ethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrazole-4-sulfonamide
CID 122567250
3-amino-5-chloro-4-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 62057704
6-(methylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-sulfonamide
CID 64523185
6-(methylamino)-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-3-sulfonamide
CID 62158342
3-[2-(4-methyl-1,3-thiazol-2-yl)ethylsulfamoyl]benzenecarbothioamide
CID 63239809
N-[2-(dimethylsulfamoyl)ethyl]-6-(methylamino)pyridine-3-sulfonamide
CID 106342326

Frequently Asked Questions

What is the IUPAC name of 6-(methylamino)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide?
The IUPAC name of 6-(methylamino)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide (CID 63245102) is 6-(methylamino)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-(methylamino)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide?
The canonical SMILES for 6-(methylamino)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide is CNc1ccc(S(=O)(=O)NCCc2nc(C)cs2)cn1.
What is the InChIKey of 6-(methylamino)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide?
The InChIKey is DADACUNMIRCKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S2/c1-9-8-19-12(16-9)5-6-15-20(17,18)10-3-4-11(13-2)14-7-10/h3-4,7-8,15H,5-6H2,1-2H3,(H,13,14).
What are the key properties of 6-(methylamino)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide?
6-(methylamino)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide has a molecular weight of 312.42 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methylamino)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide is sourced from PubChem (CID 63245102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).