2-thiophen-2-yl-5-(4-thiophen-2-ylsulfonylpiperazin-1-yl)-1,3,4-thiadiazole

C14H14N4O2S4 — CID 108780934

IUPAC2-thiophen-2-yl-5-(4-thiophen-2-ylsulfonylpiperazin-1-yl)-1,3,4-thiadiazole
SMILESO=S(=O)(c1cccs1)N1CCN(c2nnc(-c3cccs3)s2)CC1
InChIInChI=1S/C14H14N4O2S4/c19-24(20,12-4-2-10-22-12)18-7-5-17(6-8-18)14-16-15-13(23-14)11-3-1-9-21-11/h1-4,9-10H,5-8H2
InChIKeyCIBFTXDSQVKIHK-UHFFFAOYSA-N
MW398.56 g/mol
LogP2.84
Rot. Bonds4

About 2-thiophen-2-yl-5-(4-thiophen-2-ylsulfonylpiperazin-1-yl)-1,3,4-thiadiazole

2-thiophen-2-yl-5-(4-thiophen-2-ylsulfonylpiperazin-1-yl)-1,3,4-thiadiazole (PubChem CID 108780934) has the molecular formula C14H14N4O2S4 and a molecular weight of 398.56 g/mol. Its IUPAC name is 2-thiophen-2-yl-5-(4-thiophen-2-ylsulfonylpiperazin-1-yl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-thiophen-2-yl-5-(4-thiophen-2-ylsulfonylpiperazin-1-yl)-1,3,4-thiadiazole
PubChem CID108780934
Molecular FormulaC14H14N4O2S4
Molecular Weight398.56 g/mol
Exact Mass398.00
IUPAC Name2-thiophen-2-yl-5-(4-thiophen-2-ylsulfonylpiperazin-1-yl)-1,3,4-thiadiazole
SMILESO=S(=O)(c1cccs1)N1CCN(c2nnc(-c3cccs3)s2)CC1
InChIInChI=1S/C14H14N4O2S4/c19-24(20,12-4-2-10-22-12)18-7-5-17(6-8-18)14-16-15-13(23-14)11-3-1-9-21-11/h1-4,9-10H,5-8H2
InChIKeyCIBFTXDSQVKIHK-UHFFFAOYSA-N
XLogP2.84
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.56
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4-[4-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)piperazine-1-carbonyl]phenyl]methanesulfonamide
CID 108753551
4-chloro-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)-1,3-benzothiazole
CID 16937994
N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)thiophene-2-sulfonamide
CID 108783410
1-thiophen-2-ylsulfonylpiperidine
CID 765823
(2-iodophenyl)-[4-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]methanone
CID 108753521
4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)aniline
CID 9161620
4-thiophen-2-ylsulfonylthiomorpholine
CID 128941068
6-methylsulfanyl-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)-1,3-benzothiazole
CID 16938008
1-(2-ethylphenyl)-4-thiophen-2-ylsulfonylpiperazine
CID 113075857
1-thiophen-2-ylsulfonylpiperazine
CID 3865892
1-thiophen-2-ylsulfonylpiperazin-4-ium
CID 7016013
2-[4-[6-(4-thiophen-2-ylsulfonylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanol
CID 121053278

Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-yl-5-(4-thiophen-2-ylsulfonylpiperazin-1-yl)-1,3,4-thiadiazole?
The IUPAC name of 2-thiophen-2-yl-5-(4-thiophen-2-ylsulfonylpiperazin-1-yl)-1,3,4-thiadiazole (CID 108780934) is 2-thiophen-2-yl-5-(4-thiophen-2-ylsulfonylpiperazin-1-yl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-thiophen-2-yl-5-(4-thiophen-2-ylsulfonylpiperazin-1-yl)-1,3,4-thiadiazole?
The canonical SMILES for 2-thiophen-2-yl-5-(4-thiophen-2-ylsulfonylpiperazin-1-yl)-1,3,4-thiadiazole is O=S(=O)(c1cccs1)N1CCN(c2nnc(-c3cccs3)s2)CC1.
What is the InChIKey of 2-thiophen-2-yl-5-(4-thiophen-2-ylsulfonylpiperazin-1-yl)-1,3,4-thiadiazole?
The InChIKey is CIBFTXDSQVKIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2S4/c19-24(20,12-4-2-10-22-12)18-7-5-17(6-8-18)14-16-15-13(23-14)11-3-1-9-21-11/h1-4,9-10H,5-8H2.
What are the key properties of 2-thiophen-2-yl-5-(4-thiophen-2-ylsulfonylpiperazin-1-yl)-1,3,4-thiadiazole?
2-thiophen-2-yl-5-(4-thiophen-2-ylsulfonylpiperazin-1-yl)-1,3,4-thiadiazole has a molecular weight of 398.56 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-yl-5-(4-thiophen-2-ylsulfonylpiperazin-1-yl)-1,3,4-thiadiazole is sourced from PubChem (CID 108780934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).