2-cyclopropyl-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1,3,4-thiadiazole

C16H20N4O2S2 — CID 133381641

IUPAC2-cyclopropyl-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1,3,4-thiadiazole
SMILESCc1ccc(S(=O)(=O)N2CCN(c3nnc(C4CC4)s3)CC2)cc1
InChIInChI=1S/C16H20N4O2S2/c1-12-2-6-14(7-3-12)24(21,22)20-10-8-19(9-11-20)16-18-17-15(23-16)13-4-5-13/h2-3,6-7,13H,4-5,8-11H2,1H3
InChIKeyINCJCCLFTDEQRP-UHFFFAOYSA-N
MW364.50 g/mol
LogP2.23
Rot. Bonds4

About 2-cyclopropyl-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1,3,4-thiadiazole

2-cyclopropyl-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1,3,4-thiadiazole (PubChem CID 133381641) has the molecular formula C16H20N4O2S2 and a molecular weight of 364.50 g/mol. Its IUPAC name is 2-cyclopropyl-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-cyclopropyl-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1,3,4-thiadiazole
PubChem CID133381641
Molecular FormulaC16H20N4O2S2
Molecular Weight364.50 g/mol
Exact Mass364.10
IUPAC Name2-cyclopropyl-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1,3,4-thiadiazole
SMILESCc1ccc(S(=O)(=O)N2CCN(c3nnc(C4CC4)s3)CC2)cc1
InChIInChI=1S/C16H20N4O2S2/c1-12-2-6-14(7-3-12)24(21,22)20-10-8-19(9-11-20)16-18-17-15(23-16)13-4-5-13/h2-3,6-7,13H,4-5,8-11H2,1H3
InChIKeyINCJCCLFTDEQRP-UHFFFAOYSA-N
XLogP2.23
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.50
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-cyclopropyl-5-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-1,3,4-thiadiazole
CID 133382033
2-[4-(5-bromothiophen-2-yl)sulfonyl-1,4-diazepan-1-yl]-5-cyclopropyl-1,3,4-thiadiazole
CID 133383652
2-[4-(benzenesulfonyl)piperazin-1-yl]-5-methyl-1,3,4-thiadiazole
CID 108780877
2-[1-(benzenesulfonyl)piperidin-4-yl]-5-cyclopropyl-1,3,4-thiadiazole
CID 30864238
2-(4-benzylsulfonylpiperazin-1-yl)-5-cyclopropyl-1,3,4-thiadiazole
CID 71850455
4,7-dimethoxy-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1,3-benzothiazole
CID 16937154
2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-5-methyl-1,3,4-thiadiazole
CID 108780892
2-[4-(2-chlorophenyl)piperazin-1-yl]-5-cyclopropyl-1,3,4-thiadiazole
CID 133381827
2-cyclopropyl-5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1,3,4-thiadiazole
CID 155981351
3-cyclopropyl-8-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 133477970
1-methyl-4,7,10-tris-(4-methylphenyl)sulfonyl-1,4,7,10-tetrazacyclododecane
CID 12035988
(7aR,11aR)-1,4,7-tris-(4-methylphenyl)sulfonyl-2,3,5,6,7a,8,9,10,11,11a-decahydrobenzo[b][1,4,7]triazonine
CID 101249934

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1,3,4-thiadiazole?
The IUPAC name of 2-cyclopropyl-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1,3,4-thiadiazole (CID 133381641) is 2-cyclopropyl-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-cyclopropyl-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1,3,4-thiadiazole?
The canonical SMILES for 2-cyclopropyl-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1,3,4-thiadiazole is Cc1ccc(S(=O)(=O)N2CCN(c3nnc(C4CC4)s3)CC2)cc1.
What is the InChIKey of 2-cyclopropyl-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1,3,4-thiadiazole?
The InChIKey is INCJCCLFTDEQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S2/c1-12-2-6-14(7-3-12)24(21,22)20-10-8-19(9-11-20)16-18-17-15(23-16)13-4-5-13/h2-3,6-7,13H,4-5,8-11H2,1H3.
What are the key properties of 2-cyclopropyl-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1,3,4-thiadiazole?
2-cyclopropyl-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1,3,4-thiadiazole has a molecular weight of 364.50 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1,3,4-thiadiazole is sourced from PubChem (CID 133381641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).