4-[2-[(5-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]ethyl]benzenesulfonamide

C16H15N5O2S3 — CID 155565308

IUPAC4-[2-[(5-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCNc2nn3c(-c4cccs4)cnc3s2)cc1
InChIInChI=1S/C16H15N5O2S3/c17-26(22,23)12-5-3-11(4-6-12)7-8-18-15-20-21-13(10-19-16(21)25-15)14-2-1-9-24-14/h1-6,9-10H,7-8H2,(H,18,20)(H2,17,22,23)
InChIKeyYKQNASVTJBTWDT-UHFFFAOYSA-N
MW405.53 g/mol
LogP2.82
Rot. Bonds6

About 4-[2-[(5-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]ethyl]benzenesulfonamide

4-[2-[(5-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]ethyl]benzenesulfonamide (PubChem CID 155565308) has the molecular formula C16H15N5O2S3 and a molecular weight of 405.53 g/mol. Its IUPAC name is 4-[2-[(5-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[(5-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]ethyl]benzenesulfonamide
PubChem CID155565308
Molecular FormulaC16H15N5O2S3
Molecular Weight405.53 g/mol
Exact Mass405.04
IUPAC Name4-[2-[(5-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCNc2nn3c(-c4cccs4)cnc3s2)cc1
InChIInChI=1S/C16H15N5O2S3/c17-26(22,23)12-5-3-11(4-6-12)7-8-18-15-20-21-13(10-19-16(21)25-15)14-2-1-9-24-14/h1-6,9-10H,7-8H2,(H,18,20)(H2,17,22,23)
InChIKeyYKQNASVTJBTWDT-UHFFFAOYSA-N
XLogP2.82
TPSA102.38 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.53
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(5-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-[(5-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]ethyl]benzenesulfonamide (CID 155565308) is 4-[2-[(5-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[(5-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-[(5-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]ethyl]benzenesulfonamide is NS(=O)(=O)c1ccc(CCNc2nn3c(-c4cccs4)cnc3s2)cc1.
What is the InChIKey of 4-[2-[(5-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]ethyl]benzenesulfonamide?
The InChIKey is YKQNASVTJBTWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2S3/c17-26(22,23)12-5-3-11(4-6-12)7-8-18-15-20-21-13(10-19-16(21)25-15)14-2-1-9-24-14/h1-6,9-10H,7-8H2,(H,18,20)(H2,17,22,23).
What are the key properties of 4-[2-[(5-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]ethyl]benzenesulfonamide?
4-[2-[(5-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]ethyl]benzenesulfonamide has a molecular weight of 405.53 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(5-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 155565308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).