2-(4-benzylsulfonylpiperazin-1-yl)-5-cyclopropyl-1,3,4-thiadiazole

C16H20N4O2S2 — CID 71850455

IUPAC2-(4-benzylsulfonylpiperazin-1-yl)-5-cyclopropyl-1,3,4-thiadiazole
SMILESO=S(=O)(Cc1ccccc1)N1CCN(c2nnc(C3CC3)s2)CC1
InChIInChI=1S/C16H20N4O2S2/c21-24(22,12-13-4-2-1-3-5-13)20-10-8-19(9-11-20)16-18-17-15(23-16)14-6-7-14/h1-5,14H,6-12H2
InChIKeyKAVOWFJWWQLGQA-UHFFFAOYSA-N
MW364.50 g/mol
LogP2.07
Rot. Bonds5

About 2-(4-benzylsulfonylpiperazin-1-yl)-5-cyclopropyl-1,3,4-thiadiazole

2-(4-benzylsulfonylpiperazin-1-yl)-5-cyclopropyl-1,3,4-thiadiazole (PubChem CID 71850455) has the molecular formula C16H20N4O2S2 and a molecular weight of 364.50 g/mol. Its IUPAC name is 2-(4-benzylsulfonylpiperazin-1-yl)-5-cyclopropyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(4-benzylsulfonylpiperazin-1-yl)-5-cyclopropyl-1,3,4-thiadiazole
PubChem CID71850455
Molecular FormulaC16H20N4O2S2
Molecular Weight364.50 g/mol
Exact Mass364.10
IUPAC Name2-(4-benzylsulfonylpiperazin-1-yl)-5-cyclopropyl-1,3,4-thiadiazole
SMILESO=S(=O)(Cc1ccccc1)N1CCN(c2nnc(C3CC3)s2)CC1
InChIInChI=1S/C16H20N4O2S2/c21-24(22,12-13-4-2-1-3-5-13)20-10-8-19(9-11-20)16-18-17-15(23-16)14-6-7-14/h1-5,14H,6-12H2
InChIKeyKAVOWFJWWQLGQA-UHFFFAOYSA-N
XLogP2.07
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.50
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-benzylpiperazin-1-yl)-5-cyclopropyl-1,3,4-thiadiazole
CID 133365872
2-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]-5-cyclopropyl-1,3,4-thiadiazole
CID 133382414
2-(4-benzylsulfonylpiperazin-1-yl)-1,3-thiazole-5-carboxylic acid
CID 90969521
2-cyclopropyl-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1,3,4-thiadiazole
CID 133381641
2-[4-(2-chlorophenyl)piperazin-1-yl]-5-cyclopropyl-1,3,4-thiadiazole
CID 133381827
2-[4-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]sulfonyl-8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaene
CID 133382506
2-cyclopropyl-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-thiadiazole
CID 133366189
2-cyclopropyl-5-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-1,3,4-thiadiazole
CID 133381572
3-(4-benzylsulfonylpiperazin-1-yl)pyridazine
CID 121060992
2-[4-(5-bromothiophen-2-yl)sulfonyl-1,4-diazepan-1-yl]-5-cyclopropyl-1,3,4-thiadiazole
CID 133383652
2-cyclopropyl-5-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-1,3,4-thiadiazole
CID 133383591
1-benzylsulfonyl-4-(4,5-dimethyl-1,2,4-triazol-3-yl)piperazine
CID 126812465

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylsulfonylpiperazin-1-yl)-5-cyclopropyl-1,3,4-thiadiazole?
The IUPAC name of 2-(4-benzylsulfonylpiperazin-1-yl)-5-cyclopropyl-1,3,4-thiadiazole (CID 71850455) is 2-(4-benzylsulfonylpiperazin-1-yl)-5-cyclopropyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-(4-benzylsulfonylpiperazin-1-yl)-5-cyclopropyl-1,3,4-thiadiazole?
The canonical SMILES for 2-(4-benzylsulfonylpiperazin-1-yl)-5-cyclopropyl-1,3,4-thiadiazole is O=S(=O)(Cc1ccccc1)N1CCN(c2nnc(C3CC3)s2)CC1.
What is the InChIKey of 2-(4-benzylsulfonylpiperazin-1-yl)-5-cyclopropyl-1,3,4-thiadiazole?
The InChIKey is KAVOWFJWWQLGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S2/c21-24(22,12-13-4-2-1-3-5-13)20-10-8-19(9-11-20)16-18-17-15(23-16)14-6-7-14/h1-5,14H,6-12H2.
What are the key properties of 2-(4-benzylsulfonylpiperazin-1-yl)-5-cyclopropyl-1,3,4-thiadiazole?
2-(4-benzylsulfonylpiperazin-1-yl)-5-cyclopropyl-1,3,4-thiadiazole has a molecular weight of 364.50 g/mol, XLogP of 2.07, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylsulfonylpiperazin-1-yl)-5-cyclopropyl-1,3,4-thiadiazole is sourced from PubChem (CID 71850455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).