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

C18H28N6O2S2 — CID 57394524

IUPAC4-methyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]piperazine-1-sulfonamide
SMILESCN1CCN(S(=O)(=O)NCCCCCNc2nc(-c3ccccn3)cs2)CC1
InChIInChI=1S/C18H28N6O2S2/c1-23-11-13-24(14-12-23)28(25,26)21-10-5-2-4-9-20-18-22-17(15-27-18)16-7-3-6-8-19-16/h3,6-8,15,21H,2,4-5,9-14H2,1H3,(H,20,22)
InChIKeyQKJINSZAQQSSGL-UHFFFAOYSA-N
MW424.60 g/mol
LogP1.87
Rot. Bonds10

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

4-methyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]piperazine-1-sulfonamide (PubChem CID 57394524) has the molecular formula C18H28N6O2S2 and a molecular weight of 424.60 g/mol. Its IUPAC name is 4-methyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]piperazine-1-sulfonamide.

Molecular Properties

Compound Name4-methyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]piperazine-1-sulfonamide
PubChem CID57394524
Molecular FormulaC18H28N6O2S2
Molecular Weight424.60 g/mol
Exact Mass424.17
IUPAC Name4-methyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]piperazine-1-sulfonamide
SMILESCN1CCN(S(=O)(=O)NCCCCCNc2nc(-c3ccccn3)cs2)CC1
InChIInChI=1S/C18H28N6O2S2/c1-23-11-13-24(14-12-23)28(25,26)21-10-5-2-4-9-20-18-22-17(15-27-18)16-7-3-6-8-19-16/h3,6-8,15,21H,2,4-5,9-14H2,1H3,(H,20,22)
InChIKeyQKJINSZAQQSSGL-UHFFFAOYSA-N
XLogP1.87
TPSA90.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.60
LogP ≤ 51.87
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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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]piperazine-1-sulfonamide?
The IUPAC name of 4-methyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]piperazine-1-sulfonamide (CID 57394524) is 4-methyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]piperazine-1-sulfonamide.
What is the SMILES notation for 4-methyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]piperazine-1-sulfonamide?
The canonical SMILES for 4-methyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]piperazine-1-sulfonamide is CN1CCN(S(=O)(=O)NCCCCCNc2nc(-c3ccccn3)cs2)CC1.
What is the InChIKey of 4-methyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]piperazine-1-sulfonamide?
The InChIKey is QKJINSZAQQSSGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6O2S2/c1-23-11-13-24(14-12-23)28(25,26)21-10-5-2-4-9-20-18-22-17(15-27-18)16-7-3-6-8-19-16/h3,6-8,15,21H,2,4-5,9-14H2,1H3,(H,20,22).
What are the key properties of 4-methyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]piperazine-1-sulfonamide?
4-methyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]piperazine-1-sulfonamide has a molecular weight of 424.60 g/mol, XLogP of 1.87, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]piperazine-1-sulfonamide is sourced from PubChem (CID 57394524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).