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

C15H17BrN4O2S2 — CID 133382414

IUPAC2-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]-5-cyclopropyl-1,3,4-thiadiazole
SMILESO=S(=O)(c1ccccc1Br)N1CCN(c2nnc(C3CC3)s2)CC1
InChIInChI=1S/C15H17BrN4O2S2/c16-12-3-1-2-4-13(12)24(21,22)20-9-7-19(8-10-20)15-18-17-14(23-15)11-5-6-11/h1-4,11H,5-10H2
InChIKeyNMVIDQUVOSGQIU-UHFFFAOYSA-N
MW429.37 g/mol
LogP2.69
Rot. Bonds4

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

2-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]-5-cyclopropyl-1,3,4-thiadiazole (PubChem CID 133382414) has the molecular formula C15H17BrN4O2S2 and a molecular weight of 429.37 g/mol. Its IUPAC name is 2-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]-5-cyclopropyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]-5-cyclopropyl-1,3,4-thiadiazole
PubChem CID133382414
Molecular FormulaC15H17BrN4O2S2
Molecular Weight429.37 g/mol
Exact Mass428.00
IUPAC Name2-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]-5-cyclopropyl-1,3,4-thiadiazole
SMILESO=S(=O)(c1ccccc1Br)N1CCN(c2nnc(C3CC3)s2)CC1
InChIInChI=1S/C15H17BrN4O2S2/c16-12-3-1-2-4-13(12)24(21,22)20-9-7-19(8-10-20)15-18-17-14(23-15)11-5-6-11/h1-4,11H,5-10H2
InChIKeyNMVIDQUVOSGQIU-UHFFFAOYSA-N
XLogP2.69
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.37
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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-[4-(5-bromothiophen-2-yl)sulfonyl-1,4-diazepan-1-yl]-5-cyclopropyl-1,3,4-thiadiazole
CID 133383652
2-cyclopropyl-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1,3,4-thiadiazole
CID 133381641
2-(4-benzylsulfonylpiperazin-1-yl)-5-cyclopropyl-1,3,4-thiadiazole
CID 71850455
2-cyclopropyl-5-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-1,3,4-thiadiazole
CID 133382033
2-[4-(2-chlorophenyl)piperazin-1-yl]-5-cyclopropyl-1,3,4-thiadiazole
CID 133381827
2-cyclopropyl-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-thiadiazole
CID 133366189
1-(2-bromophenyl)sulfonyl-4,4-dimethylpiperidine
CID 62922388
2-[1-(benzenesulfonyl)piperidin-4-yl]-5-cyclopropyl-1,3,4-thiadiazole
CID 30864238
2-(4-benzylpiperazin-1-yl)-5-cyclopropyl-1,3,4-thiadiazole
CID 133365872
4-(bromomethyl)-1-(2-bromophenyl)sulfonylpiperidine
CID 80668441
4-(2-bromophenyl)sulfonylpiperazine-1-carbaldehyde
CID 3858856

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]-5-cyclopropyl-1,3,4-thiadiazole?
The IUPAC name of 2-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]-5-cyclopropyl-1,3,4-thiadiazole (CID 133382414) is 2-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]-5-cyclopropyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]-5-cyclopropyl-1,3,4-thiadiazole?
The canonical SMILES for 2-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]-5-cyclopropyl-1,3,4-thiadiazole is O=S(=O)(c1ccccc1Br)N1CCN(c2nnc(C3CC3)s2)CC1.
What is the InChIKey of 2-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]-5-cyclopropyl-1,3,4-thiadiazole?
The InChIKey is NMVIDQUVOSGQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN4O2S2/c16-12-3-1-2-4-13(12)24(21,22)20-9-7-19(8-10-20)15-18-17-14(23-15)11-5-6-11/h1-4,11H,5-10H2.
What are the key properties of 2-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]-5-cyclopropyl-1,3,4-thiadiazole?
2-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]-5-cyclopropyl-1,3,4-thiadiazole has a molecular weight of 429.37 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]-5-cyclopropyl-1,3,4-thiadiazole is sourced from PubChem (CID 133382414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).