6-[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-4-yl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

C14H17N5O2S3 — CID 110405449

IUPAC6-[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-4-yl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCCc1ccc(S(=O)(=O)N2CCC(c3nn4cnnc4s3)CC2)s1
InChIInChI=1S/C14H17N5O2S3/c1-2-11-3-4-12(22-11)24(20,21)18-7-5-10(6-8-18)13-17-19-9-15-16-14(19)23-13/h3-4,9-10H,2,5-8H2,1H3
InChIKeyLVIWVKCLTSSTLC-UHFFFAOYSA-N
MW383.52 g/mol
LogP2.38
Rot. Bonds4

About 6-[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-4-yl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

6-[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-4-yl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 110405449) has the molecular formula C14H17N5O2S3 and a molecular weight of 383.52 g/mol. Its IUPAC name is 6-[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-4-yl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-4-yl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID110405449
Molecular FormulaC14H17N5O2S3
Molecular Weight383.52 g/mol
Exact Mass383.05
IUPAC Name6-[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-4-yl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCCc1ccc(S(=O)(=O)N2CCC(c3nn4cnnc4s3)CC2)s1
InChIInChI=1S/C14H17N5O2S3/c1-2-11-3-4-12(22-11)24(20,21)18-7-5-10(6-8-18)13-17-19-9-15-16-14(19)23-13/h3-4,9-10H,2,5-8H2,1H3
InChIKeyLVIWVKCLTSSTLC-UHFFFAOYSA-N
XLogP2.38
TPSA80.46 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.52
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6-[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-4-yl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole with MolForge

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

Launch Full Analysis

Related Compounds

1-(5-ethylthiophen-2-yl)sulfonyl-4-methylpiperidine
CID 110755253
4-bromo-1-(5-ethylthiophen-2-yl)sulfonylpiperidine
CID 80673139
1-(5-ethylthiophen-2-yl)sulfonyl-4-thiophen-2-ylpiperidine
CID 90522198
1-[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)piperidin-1-yl]propan-1-one
CID 110405340
N-cyclopropyl-1-(5-ethylthiophen-2-yl)sulfonylpiperidine-4-carboxamide
CID 113002574
3-(chloromethyl)-1-(5-ethylthiophen-2-yl)sulfonylpyrrolidine
CID 63400980
1-(5-ethylthiophen-2-yl)sulfonyl-4-(2-methylpropylsulfonyl)piperidine
CID 90590289
1-(1-cyclopropylethyl)-4-(5-ethylthiophen-2-yl)sulfonylpiperazine
CID 110708849
(3S,4R)-1-(5-ethylthiophen-2-yl)sulfonyl-4-hydroxypiperidine-3-carboxylic acid
CID 135090321
(3S,4S)-1-(5-ethylthiophen-2-yl)sulfonyl-4-hydroxypiperidine-3-carboxylic acid
CID 135091674
3-(5-ethylthiophen-2-yl)sulfonyl-3,9-diazabicyclo[4.2.1]nonane;hydrochloride
CID 119989567
4-chloro-1-(5-ethylthiophen-2-yl)sulfonyl-3-methylpiperidine
CID 114683624

Frequently Asked Questions

What is the IUPAC name of 6-[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-4-yl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 6-[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-4-yl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 110405449) is 6-[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-4-yl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-4-yl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 6-[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-4-yl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is CCc1ccc(S(=O)(=O)N2CCC(c3nn4cnnc4s3)CC2)s1.
What is the InChIKey of 6-[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-4-yl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is LVIWVKCLTSSTLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2S3/c1-2-11-3-4-12(22-11)24(20,21)18-7-5-10(6-8-18)13-17-19-9-15-16-14(19)23-13/h3-4,9-10H,2,5-8H2,1H3.
What are the key properties of 6-[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-4-yl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
6-[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-4-yl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 383.52 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-4-yl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 110405449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).