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

C17H20N4O2S3 — CID 20647123

IUPACN-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCCCCCNc1nc(-c2ccccn2)cs1)c1cccs1
InChIInChI=1S/C17H20N4O2S3/c22-26(23,16-8-6-12-24-16)20-11-4-1-3-10-19-17-21-15(13-25-17)14-7-2-5-9-18-14/h2,5-9,12-13,20H,1,3-4,10-11H2,(H,19,21)
InChIKeyFWKOPGKTNBSLLV-UHFFFAOYSA-N
MW408.57 g/mol
LogP3.83
Rot. Bonds10

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

N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]thiophene-2-sulfonamide (PubChem CID 20647123) has the molecular formula C17H20N4O2S3 and a molecular weight of 408.57 g/mol. Its IUPAC name is N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]thiophene-2-sulfonamide
PubChem CID20647123
Molecular FormulaC17H20N4O2S3
Molecular Weight408.57 g/mol
Exact Mass408.07
IUPAC NameN-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCCCCCNc1nc(-c2ccccn2)cs1)c1cccs1
InChIInChI=1S/C17H20N4O2S3/c22-26(23,16-8-6-12-24-16)20-11-4-1-3-10-19-17-21-15(13-25-17)14-7-2-5-9-18-14/h2,5-9,12-13,20H,1,3-4,10-11H2,(H,19,21)
InChIKeyFWKOPGKTNBSLLV-UHFFFAOYSA-N
XLogP3.83
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.57
LogP ≤ 53.83
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 N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]thiophene-2-sulfonamide?
The IUPAC name of N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]thiophene-2-sulfonamide (CID 20647123) is N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]thiophene-2-sulfonamide is O=S(=O)(NCCCCCNc1nc(-c2ccccn2)cs1)c1cccs1.
What is the InChIKey of N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]thiophene-2-sulfonamide?
The InChIKey is FWKOPGKTNBSLLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S3/c22-26(23,16-8-6-12-24-16)20-11-4-1-3-10-19-17-21-15(13-25-17)14-7-2-5-9-18-14/h2,5-9,12-13,20H,1,3-4,10-11H2,(H,19,21).
What are the key properties of N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]thiophene-2-sulfonamide?
N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]thiophene-2-sulfonamide has a molecular weight of 408.57 g/mol, XLogP of 3.83, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]thiophene-2-sulfonamide is sourced from PubChem (CID 20647123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).