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

C17H22N6O2S2 — CID 57403258

IUPAC1-methyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]imidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NCCCCCNc2nc(-c3ccccn3)cs2)c1
InChIInChI=1S/C17H22N6O2S2/c1-23-11-16(20-13-23)27(24,25)21-10-5-2-4-9-19-17-22-15(12-26-17)14-7-3-6-8-18-14/h3,6-8,11-13,21H,2,4-5,9-10H2,1H3,(H,19,22)
InChIKeyQDCVVHLXWOVDEA-UHFFFAOYSA-N
MW406.54 g/mol
LogP2.50
Rot. Bonds10

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

1-methyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]imidazole-4-sulfonamide (PubChem CID 57403258) has the molecular formula C17H22N6O2S2 and a molecular weight of 406.54 g/mol. Its IUPAC name is 1-methyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]imidazole-4-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]imidazole-4-sulfonamide
PubChem CID57403258
Molecular FormulaC17H22N6O2S2
Molecular Weight406.54 g/mol
Exact Mass406.12
IUPAC Name1-methyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]imidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NCCCCCNc2nc(-c3ccccn3)cs2)c1
InChIInChI=1S/C17H22N6O2S2/c1-23-11-16(20-13-23)27(24,25)21-10-5-2-4-9-19-17-22-15(12-26-17)14-7-3-6-8-18-14/h3,6-8,11-13,21H,2,4-5,9-10H2,1H3,(H,19,22)
InChIKeyQDCVVHLXWOVDEA-UHFFFAOYSA-N
XLogP2.50
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.54
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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 1-methyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]imidazole-4-sulfonamide?
The IUPAC name of 1-methyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]imidazole-4-sulfonamide (CID 57403258) is 1-methyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]imidazole-4-sulfonamide.
What is the SMILES notation for 1-methyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]imidazole-4-sulfonamide?
The canonical SMILES for 1-methyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]imidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)NCCCCCNc2nc(-c3ccccn3)cs2)c1.
What is the InChIKey of 1-methyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]imidazole-4-sulfonamide?
The InChIKey is QDCVVHLXWOVDEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O2S2/c1-23-11-16(20-13-23)27(24,25)21-10-5-2-4-9-19-17-22-15(12-26-17)14-7-3-6-8-18-14/h3,6-8,11-13,21H,2,4-5,9-10H2,1H3,(H,19,22).
What are the key properties of 1-methyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]imidazole-4-sulfonamide?
1-methyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]imidazole-4-sulfonamide has a molecular weight of 406.54 g/mol, XLogP of 2.50, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]imidazole-4-sulfonamide is sourced from PubChem (CID 57403258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).