3-cyclopropyl-5-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-1,2,4-thiadiazole

C15H16Cl2N4O2S2 — CID 133372832

IUPAC3-cyclopropyl-5-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-1,2,4-thiadiazole
SMILESO=S(=O)(c1c(Cl)cccc1Cl)N1CCN(c2nc(C3CC3)ns2)CC1
InChIInChI=1S/C15H16Cl2N4O2S2/c16-11-2-1-3-12(17)13(11)25(22,23)21-8-6-20(7-9-21)15-18-14(19-24-15)10-4-5-10/h1-3,10H,4-9H2
InChIKeyHRVDBFJODZCXTH-UHFFFAOYSA-N
MW419.36 g/mol
LogP3.23
Rot. Bonds4

About 3-cyclopropyl-5-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-1,2,4-thiadiazole

3-cyclopropyl-5-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-1,2,4-thiadiazole (PubChem CID 133372832) has the molecular formula C15H16Cl2N4O2S2 and a molecular weight of 419.36 g/mol. Its IUPAC name is 3-cyclopropyl-5-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-1,2,4-thiadiazole
PubChem CID133372832
Molecular FormulaC15H16Cl2N4O2S2
Molecular Weight419.36 g/mol
Exact Mass418.01
IUPAC Name3-cyclopropyl-5-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-1,2,4-thiadiazole
SMILESO=S(=O)(c1c(Cl)cccc1Cl)N1CCN(c2nc(C3CC3)ns2)CC1
InChIInChI=1S/C15H16Cl2N4O2S2/c16-11-2-1-3-12(17)13(11)25(22,23)21-8-6-20(7-9-21)15-18-14(19-24-15)10-4-5-10/h1-3,10H,4-9H2
InChIKeyHRVDBFJODZCXTH-UHFFFAOYSA-N
XLogP3.23
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.36
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-Cyclopropyl-5-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-1,2,4-thiadiazole
CID 133352285
3-Cyclopropyl-5-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-1,2,4-thiadiazole
CID 133352303
3-Cyclopropyl-5-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-1,2,4-thiadiazole
CID 133352373
3-Cyclopropyl-5-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-1,2,4-thiadiazole
CID 133352387
5-[4-(3-Chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-3-cyclopropyl-1,2,4-thiadiazole
CID 133358366
5-[4-(3-Chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole
CID 133358367
3-Cyclopropyl-5-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-1,2,4-thiadiazole
CID 133358598
3-Cyclopropyl-5-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-1,2,4-thiadiazole
CID 133358628
2-chloro-N-((4-(dimethylamino)-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-yl)methyl)benzenesulfonamide
CID 119099660
5-[4-(2,6-Dichlorophenyl)sulfonylpiperazin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 132482573
3-chloro-N-[2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethyl]benzenesulfonamide
CID 133335347
5-[4-(4-Chlorophenyl)sulfonylpiperazin-1-yl]-3-(2-methoxyethyl)-1,2,4-thiadiazole
CID 133352028

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-1,2,4-thiadiazole?
The IUPAC name of 3-cyclopropyl-5-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-1,2,4-thiadiazole (CID 133372832) is 3-cyclopropyl-5-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-1,2,4-thiadiazole.
What is the SMILES notation for 3-cyclopropyl-5-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-1,2,4-thiadiazole?
The canonical SMILES for 3-cyclopropyl-5-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-1,2,4-thiadiazole is O=S(=O)(c1c(Cl)cccc1Cl)N1CCN(c2nc(C3CC3)ns2)CC1.
What is the InChIKey of 3-cyclopropyl-5-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-1,2,4-thiadiazole?
The InChIKey is HRVDBFJODZCXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N4O2S2/c16-11-2-1-3-12(17)13(11)25(22,23)21-8-6-20(7-9-21)15-18-14(19-24-15)10-4-5-10/h1-3,10H,4-9H2.
What are the key properties of 3-cyclopropyl-5-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-1,2,4-thiadiazole?
3-cyclopropyl-5-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-1,2,4-thiadiazole has a molecular weight of 419.36 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-1,2,4-thiadiazole is sourced from PubChem (CID 133372832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).