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

C18H23N5O2S3 — CID 57398085

IUPAC2,4-dimethyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]-1,3-thiazole-5-sulfonamide
SMILESCc1nc(C)c(S(=O)(=O)NCCCCCNc2nc(-c3ccccn3)cs2)s1
InChIInChI=1S/C18H23N5O2S3/c1-13-17(27-14(2)22-13)28(24,25)21-11-6-3-5-10-20-18-23-16(12-26-18)15-8-4-7-9-19-15/h4,7-9,12,21H,3,5-6,10-11H2,1-2H3,(H,20,23)
InChIKeyBIZYCHPTCHHJOA-UHFFFAOYSA-N
MW437.62 g/mol
LogP3.84
Rot. Bonds10

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

2,4-dimethyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]-1,3-thiazole-5-sulfonamide (PubChem CID 57398085) has the molecular formula C18H23N5O2S3 and a molecular weight of 437.62 g/mol. Its IUPAC name is 2,4-dimethyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]-1,3-thiazole-5-sulfonamide
PubChem CID57398085
Molecular FormulaC18H23N5O2S3
Molecular Weight437.62 g/mol
Exact Mass437.10
IUPAC Name2,4-dimethyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]-1,3-thiazole-5-sulfonamide
SMILESCc1nc(C)c(S(=O)(=O)NCCCCCNc2nc(-c3ccccn3)cs2)s1
InChIInChI=1S/C18H23N5O2S3/c1-13-17(27-14(2)22-13)28(24,25)21-11-6-3-5-10-20-18-23-16(12-26-18)15-8-4-7-9-19-15/h4,7-9,12,21H,3,5-6,10-11H2,1-2H3,(H,20,23)
InChIKeyBIZYCHPTCHHJOA-UHFFFAOYSA-N
XLogP3.84
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.62
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2,4-dimethyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]-1,3-thiazole-5-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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]-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2,4-dimethyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]-1,3-thiazole-5-sulfonamide (CID 57398085) is 2,4-dimethyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2,4-dimethyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2,4-dimethyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]-1,3-thiazole-5-sulfonamide is Cc1nc(C)c(S(=O)(=O)NCCCCCNc2nc(-c3ccccn3)cs2)s1.
What is the InChIKey of 2,4-dimethyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]-1,3-thiazole-5-sulfonamide?
The InChIKey is BIZYCHPTCHHJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2S3/c1-13-17(27-14(2)22-13)28(24,25)21-11-6-3-5-10-20-18-23-16(12-26-18)15-8-4-7-9-19-15/h4,7-9,12,21H,3,5-6,10-11H2,1-2H3,(H,20,23).
What are the key properties of 2,4-dimethyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]-1,3-thiazole-5-sulfonamide?
2,4-dimethyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]-1,3-thiazole-5-sulfonamide has a molecular weight of 437.62 g/mol, XLogP of 3.84, 10 rotatable bonds, 2 hydrogen bond donors, and 8 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]-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 57398085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).