2,4-dimethyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]furan-3-sulfonamide

C19H24N4O3S2 — CID 20647092

IUPAC2,4-dimethyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]furan-3-sulfonamide
SMILESCc1coc(C)c1S(=O)(=O)NCCCCCNc1nc(-c2ccccn2)cs1
InChIInChI=1S/C19H24N4O3S2/c1-14-12-26-15(2)18(14)28(24,25)22-11-6-3-5-10-21-19-23-17(13-27-19)16-8-4-7-9-20-16/h4,7-9,12-13,22H,3,5-6,10-11H2,1-2H3,(H,21,23)
InChIKeyGJBXWSWJIYHQIZ-UHFFFAOYSA-N
MW420.56 g/mol
LogP3.98
Rot. Bonds10

About 2,4-dimethyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]furan-3-sulfonamide

2,4-dimethyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]furan-3-sulfonamide (PubChem CID 20647092) has the molecular formula C19H24N4O3S2 and a molecular weight of 420.56 g/mol. Its IUPAC name is 2,4-dimethyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]furan-3-sulfonamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]furan-3-sulfonamide
PubChem CID20647092
Molecular FormulaC19H24N4O3S2
Molecular Weight420.56 g/mol
Exact Mass420.13
IUPAC Name2,4-dimethyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]furan-3-sulfonamide
SMILESCc1coc(C)c1S(=O)(=O)NCCCCCNc1nc(-c2ccccn2)cs1
InChIInChI=1S/C19H24N4O3S2/c1-14-12-26-15(2)18(14)28(24,25)22-11-6-3-5-10-21-19-23-17(13-27-19)16-8-4-7-9-20-16/h4,7-9,12-13,22H,3,5-6,10-11H2,1-2H3,(H,21,23)
InChIKeyGJBXWSWJIYHQIZ-UHFFFAOYSA-N
XLogP3.98
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(furan-2-ylmethyl)-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 883342
(E)-3-(furan-2-yl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)prop-2-enamide
CID 2406282
N-(2-furylmethyl)-4-(4-pyridinyl)-1,3-thiazol-2-amine
CID 2901964
N-[4-[[cyclopentyl-(4-methoxyphenyl)sulfonylamino]methyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 53319343
N-[4-[[cyclopentyl-(4-methoxyphenyl)sulfonylamino]methyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 53321939
1-(Furan-2-ylmethyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea
CID 87406734
ethyl (E)-2-[4-[4-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]butoxy]phenyl]ethenesulfonate
CID 70697358
3-[(2,5-dimethylfuran-3-yl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 70789477
N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-[(4-methylphenyl)sulfonylamino]pyridine-4-carboxamide
CID 70789512
2-(Diaminomethyleneamino)-4-[6-(furfurylthio)acetylaminomethylpyridin-2-yl)thiazole
CID 10341061
Cambridge id 6537629
CID 3834183
N-(furan-2-ylmethyl)-2-(2-((4-methylpyridin-2-yl)amino)thiazol-4-yl)acetamide
CID 49677973

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]furan-3-sulfonamide?
The IUPAC name of 2,4-dimethyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]furan-3-sulfonamide (CID 20647092) is 2,4-dimethyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]furan-3-sulfonamide.
What is the SMILES notation for 2,4-dimethyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]furan-3-sulfonamide?
The canonical SMILES for 2,4-dimethyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]furan-3-sulfonamide is Cc1coc(C)c1S(=O)(=O)NCCCCCNc1nc(-c2ccccn2)cs1.
What is the InChIKey of 2,4-dimethyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]furan-3-sulfonamide?
The InChIKey is GJBXWSWJIYHQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3S2/c1-14-12-26-15(2)18(14)28(24,25)22-11-6-3-5-10-21-19-23-17(13-27-19)16-8-4-7-9-20-16/h4,7-9,12-13,22H,3,5-6,10-11H2,1-2H3,(H,21,23).
What are the key properties of 2,4-dimethyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]furan-3-sulfonamide?
2,4-dimethyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]furan-3-sulfonamide has a molecular weight of 420.56 g/mol, XLogP of 3.98, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]furan-3-sulfonamide is sourced from PubChem (CID 20647092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).