3-(benzenesulfonyl)-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]propanamide

C15H16N4O3S2 — CID 110307538

IUPAC3-(benzenesulfonyl)-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]propanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)NCCc1csc2ncnn12
InChIInChI=1S/C15H16N4O3S2/c20-14(7-9-24(21,22)13-4-2-1-3-5-13)16-8-6-12-10-23-15-17-11-18-19(12)15/h1-5,10-11H,6-9H2,(H,16,20)
InChIKeyRAMCUFJZCPDKDF-UHFFFAOYSA-N
MW364.45 g/mol
LogP1.31
Rot. Bonds7

About 3-(benzenesulfonyl)-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]propanamide

3-(benzenesulfonyl)-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]propanamide (PubChem CID 110307538) has the molecular formula C15H16N4O3S2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]propanamide
PubChem CID110307538
Molecular FormulaC15H16N4O3S2
Molecular Weight364.45 g/mol
Exact Mass364.07
IUPAC Name3-(benzenesulfonyl)-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]propanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)NCCc1csc2ncnn12
InChIInChI=1S/C15H16N4O3S2/c20-14(7-9-24(21,22)13-4-2-1-3-5-13)16-8-6-12-10-23-15-17-11-18-19(12)15/h1-5,10-11H,6-9H2,(H,16,20)
InChIKeyRAMCUFJZCPDKDF-UHFFFAOYSA-N
XLogP1.31
TPSA93.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-methyl-3-phenyl-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]propanamide
CID 110354295
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CID 110627728
3-(benzenesulfonyl)-N-(3-pyridin-2-ylpropyl)propanamide
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3-(benzenesulfonyl)-N-(3-hydroxypentyl)propanamide
CID 115703740
3-(benzenesulfonyl)-N-[2-(3-chlorophenyl)ethyl]propanamide
CID 32816816
2-cyclopentyl-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]propanamide
CID 110354300
1-methyl-5-(4-methylphenyl)-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]pyrazole-3-carboxamide
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3-(benzenesulfonyl)-N-[3-(triazol-1-yl)propyl]propanamide
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N-(2-amino-2-oxoethyl)-3-(benzenesulfonyl)propanamide
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3-(benzenesulfonyl)-N-[2-(diethylamino)ethyl]propanamide;hydrochloride
CID 90483049

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]propanamide?
The IUPAC name of 3-(benzenesulfonyl)-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]propanamide (CID 110307538) is 3-(benzenesulfonyl)-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]propanamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]propanamide?
The canonical SMILES for 3-(benzenesulfonyl)-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]propanamide is O=C(CCS(=O)(=O)c1ccccc1)NCCc1csc2ncnn12.
What is the InChIKey of 3-(benzenesulfonyl)-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]propanamide?
The InChIKey is RAMCUFJZCPDKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3S2/c20-14(7-9-24(21,22)13-4-2-1-3-5-13)16-8-6-12-10-23-15-17-11-18-19(12)15/h1-5,10-11H,6-9H2,(H,16,20).
What are the key properties of 3-(benzenesulfonyl)-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]propanamide?
3-(benzenesulfonyl)-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]propanamide has a molecular weight of 364.45 g/mol, XLogP of 1.31, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]propanamide is sourced from PubChem (CID 110307538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).