2-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]-1,3-thiazole-5-sulfonamide

C13H18N4O2S2 — CID 103951403

IUPAC2-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]-1,3-thiazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)NCCCNCc2cccnc2)s1
InChIInChI=1S/C13H18N4O2S2/c1-11-16-10-13(20-11)21(18,19)17-7-3-6-15-9-12-4-2-5-14-8-12/h2,4-5,8,10,15,17H,3,6-7,9H2,1H3
InChIKeyFKAYBJPECBYAAS-UHFFFAOYSA-N
MW326.45 g/mol
LogP1.30
Rot. Bonds8

About 2-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]-1,3-thiazole-5-sulfonamide

2-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]-1,3-thiazole-5-sulfonamide (PubChem CID 103951403) has the molecular formula C13H18N4O2S2 and a molecular weight of 326.45 g/mol. Its IUPAC name is 2-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]-1,3-thiazole-5-sulfonamide
PubChem CID103951403
Molecular FormulaC13H18N4O2S2
Molecular Weight326.45 g/mol
Exact Mass326.09
IUPAC Name2-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]-1,3-thiazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)NCCCNCc2cccnc2)s1
InChIInChI=1S/C13H18N4O2S2/c1-11-16-10-13(20-11)21(18,19)17-7-3-6-15-9-12-4-2-5-14-8-12/h2,4-5,8,10,15,17H,3,6-7,9H2,1H3
InChIKeyFKAYBJPECBYAAS-UHFFFAOYSA-N
XLogP1.30
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.45
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]thiophene-2-sulfonamide
CID 43605840
N-[3-(pyridin-3-ylmethylamino)propyl]pyridine-3-sulfonamide
CID 43605828
3-[[3-(sulfamoylamino)propylamino]methyl]pyridine
CID 114959317
2-(2-methyl-1,3-thiazol-5-yl)-N-(pyridin-3-ylmethyl)ethanamine
CID 115747393
N-(2-hydroxyethyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103847901
4-chloro-N-(pyridin-3-ylmethyl)butan-1-amine
CID 106844346
5-(propylaminomethyl)-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide
CID 106030764
N-(pyridin-3-ylmethyl)heptan-1-amine
CID 4716863
5-chloro-N-(4-pyridin-3-ylbutyl)thiophene-2-sulfonamide
CID 110661337
N'-(5-methylpyrimidin-2-yl)-N-(pyridin-3-ylmethyl)propane-1,3-diamine
CID 63256061
N-(pyridin-3-ylmethyl)octan-1-amine;hydrochloride
CID 17331176
N'-(2-methylpyrimidin-4-yl)-N-(pyridin-3-ylmethyl)propane-1,3-diamine
CID 55168209

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]-1,3-thiazole-5-sulfonamide (CID 103951403) is 2-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]-1,3-thiazole-5-sulfonamide is Cc1ncc(S(=O)(=O)NCCCNCc2cccnc2)s1.
What is the InChIKey of 2-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]-1,3-thiazole-5-sulfonamide?
The InChIKey is FKAYBJPECBYAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S2/c1-11-16-10-13(20-11)21(18,19)17-7-3-6-15-9-12-4-2-5-14-8-12/h2,4-5,8,10,15,17H,3,6-7,9H2,1H3.
What are the key properties of 2-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]-1,3-thiazole-5-sulfonamide?
2-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]-1,3-thiazole-5-sulfonamide has a molecular weight of 326.45 g/mol, XLogP of 1.30, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 103951403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).