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

C19H24N4O3S2 — CID 20647093

IUPAC2,4-dimethyl-N-[5-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]pentyl]furan-3-sulfonamide
SMILESCc1coc(C)c1S(=O)(=O)NCCCCCNc1nc(-c2cccnc2)cs1
InChIInChI=1S/C19H24N4O3S2/c1-14-12-26-15(2)18(14)28(24,25)22-10-5-3-4-9-21-19-23-17(13-27-19)16-7-6-8-20-11-16/h6-8,11-13,22H,3-5,9-10H2,1-2H3,(H,21,23)
InChIKeyVSLUXKJEXBQGPY-UHFFFAOYSA-N
MW420.56 g/mol
LogP3.98
Rot. Bonds10

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

2,4-dimethyl-N-[5-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]pentyl]furan-3-sulfonamide (PubChem CID 20647093) 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-3-yl-1,3-thiazol-2-yl)amino]pentyl]furan-3-sulfonamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[5-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]pentyl]furan-3-sulfonamide
PubChem CID20647093
Molecular FormulaC19H24N4O3S2
Molecular Weight420.56 g/mol
Exact Mass420.13
IUPAC Name2,4-dimethyl-N-[5-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]pentyl]furan-3-sulfonamide
SMILESCc1coc(C)c1S(=O)(=O)NCCCCCNc1nc(-c2cccnc2)cs1
InChIInChI=1S/C19H24N4O3S2/c1-14-12-26-15(2)18(14)28(24,25)22-10-5-3-4-9-21-19-23-17(13-27-19)16-7-6-8-20-11-16/h6-8,11-13,22H,3-5,9-10H2,1-2H3,(H,21,23)
InChIKeyVSLUXKJEXBQGPY-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
1-(Furan-2-ylmethyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea
CID 87406734
3-[(2,5-dimethylfuran-3-yl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 70789477
N-(furan-2-ylmethyl)-2-(2-((4-methylpyridin-2-yl)amino)thiazol-4-yl)acetamide
CID 49677973
N-[2-(furan-2-ylmethylsulfanyl)ethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 4825876
N-(4-methylthiazol-2-yl)-5-(N-(pyridin-3-ylmethyl)sulfamoyl)furan-2-carboxamide
CID 44072168
N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 47066448
N-[2-fluoro-5-[5-[2-(2-methylsulfonylethylamino)pyrimidin-4-yl]-2-propan-2-yl-1,3-thiazol-4-yl]phenyl]furan-2-sulfonamide
CID 57989623
N-[2-fluoro-5-[5-[2-(3-methylsulfonylpropylamino)pyrimidin-4-yl]-2-propan-2-yl-1,3-thiazol-4-yl]phenyl]furan-2-sulfonamide
CID 57989649
N-{3-[5-(2-amino-4-pyrimidinyl)-2-(4-piperidinyl)-1,3-thiazol-4-yl]-2-fluorophenyl}-3-furansulfonamide
CID 57989716

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[5-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]pentyl]furan-3-sulfonamide?
The IUPAC name of 2,4-dimethyl-N-[5-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]pentyl]furan-3-sulfonamide (CID 20647093) is 2,4-dimethyl-N-[5-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]pentyl]furan-3-sulfonamide.
What is the SMILES notation for 2,4-dimethyl-N-[5-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]pentyl]furan-3-sulfonamide?
The canonical SMILES for 2,4-dimethyl-N-[5-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]pentyl]furan-3-sulfonamide is Cc1coc(C)c1S(=O)(=O)NCCCCCNc1nc(-c2cccnc2)cs1.
What is the InChIKey of 2,4-dimethyl-N-[5-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]pentyl]furan-3-sulfonamide?
The InChIKey is VSLUXKJEXBQGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3S2/c1-14-12-26-15(2)18(14)28(24,25)22-10-5-3-4-9-21-19-23-17(13-27-19)16-7-6-8-20-11-16/h6-8,11-13,22H,3-5,9-10H2,1-2H3,(H,21,23).
What are the key properties of 2,4-dimethyl-N-[5-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]pentyl]furan-3-sulfonamide?
2,4-dimethyl-N-[5-[(4-pyridin-3-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-3-yl-1,3-thiazol-2-yl)amino]pentyl]furan-3-sulfonamide is sourced from PubChem (CID 20647093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).