2-[4-(benzenesulfonyl)piperazin-1-yl]-5-methyl-1,3,4-thiadiazole

C13H16N4O2S2 — CID 108780877

IUPAC2-[4-(benzenesulfonyl)piperazin-1-yl]-5-methyl-1,3,4-thiadiazole
SMILESCc1nnc(N2CCN(S(=O)(=O)c3ccccc3)CC2)s1
InChIInChI=1S/C13H16N4O2S2/c1-11-14-15-13(20-11)16-7-9-17(10-8-16)21(18,19)12-5-3-2-4-6-12/h2-6H,7-10H2,1H3
InChIKeyMNMLIPJWVNXWCV-UHFFFAOYSA-N
MW324.43 g/mol
LogP1.36
Rot. Bonds3

About 2-[4-(benzenesulfonyl)piperazin-1-yl]-5-methyl-1,3,4-thiadiazole

2-[4-(benzenesulfonyl)piperazin-1-yl]-5-methyl-1,3,4-thiadiazole (PubChem CID 108780877) has the molecular formula C13H16N4O2S2 and a molecular weight of 324.43 g/mol. Its IUPAC name is 2-[4-(benzenesulfonyl)piperazin-1-yl]-5-methyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[4-(benzenesulfonyl)piperazin-1-yl]-5-methyl-1,3,4-thiadiazole
PubChem CID108780877
Molecular FormulaC13H16N4O2S2
Molecular Weight324.43 g/mol
Exact Mass324.07
IUPAC Name2-[4-(benzenesulfonyl)piperazin-1-yl]-5-methyl-1,3,4-thiadiazole
SMILESCc1nnc(N2CCN(S(=O)(=O)c3ccccc3)CC2)s1
InChIInChI=1S/C13H16N4O2S2/c1-11-14-15-13(20-11)16-7-9-17(10-8-16)21(18,19)12-5-3-2-4-6-12/h2-6H,7-10H2,1H3
InChIKeyMNMLIPJWVNXWCV-UHFFFAOYSA-N
XLogP1.36
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-5-methyl-1,3,4-thiadiazole
CID 108780892
2-[4-(benzenesulfonyl)piperidin-1-yl]-5-methyl-1,3,4-thiadiazole
CID 139022993
2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-5-methyl-1,3,4-thiadiazole
CID 118795800
2-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]-5-methyl-1,3,4-thiadiazole
CID 108780890
2-(4-cyclopropylsulfonylpiperazin-1-yl)-5-methyl-1,3,4-thiadiazole
CID 108780894
2-cyclopropyl-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1,3,4-thiadiazole
CID 133381641
carbonic acid;N-[(1S,2R,3R)-2-methyl-3-phenylcyclopropyl]-4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazine-1-sulfonamide
CID 67526142
3-[4-(benzenesulfonyl)piperazin-1-yl]-6-pyrrolidin-1-ylpyridazine
CID 7287685
cis-(1S,3S)-2-methyl-1-[[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]sulfonylamino]-3-phenylcyclopropane-1-carboxylic acid
CID 59692900
(2-chloro-5-morpholin-4-ylsulfonylphenyl)-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]methanone
CID 108753363
2-[4-(benzenesulfonyl)piperazin-1-yl]-4-ethoxy-1,3-benzothiazole
CID 16936927
2-propan-2-yl-5-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-1,3,4-thiadiazole
CID 133382036

Frequently Asked Questions

What is the IUPAC name of 2-[4-(benzenesulfonyl)piperazin-1-yl]-5-methyl-1,3,4-thiadiazole?
The IUPAC name of 2-[4-(benzenesulfonyl)piperazin-1-yl]-5-methyl-1,3,4-thiadiazole (CID 108780877) is 2-[4-(benzenesulfonyl)piperazin-1-yl]-5-methyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-[4-(benzenesulfonyl)piperazin-1-yl]-5-methyl-1,3,4-thiadiazole?
The canonical SMILES for 2-[4-(benzenesulfonyl)piperazin-1-yl]-5-methyl-1,3,4-thiadiazole is Cc1nnc(N2CCN(S(=O)(=O)c3ccccc3)CC2)s1.
What is the InChIKey of 2-[4-(benzenesulfonyl)piperazin-1-yl]-5-methyl-1,3,4-thiadiazole?
The InChIKey is MNMLIPJWVNXWCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S2/c1-11-14-15-13(20-11)16-7-9-17(10-8-16)21(18,19)12-5-3-2-4-6-12/h2-6H,7-10H2,1H3.
What are the key properties of 2-[4-(benzenesulfonyl)piperazin-1-yl]-5-methyl-1,3,4-thiadiazole?
2-[4-(benzenesulfonyl)piperazin-1-yl]-5-methyl-1,3,4-thiadiazole has a molecular weight of 324.43 g/mol, XLogP of 1.36, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(benzenesulfonyl)piperazin-1-yl]-5-methyl-1,3,4-thiadiazole is sourced from PubChem (CID 108780877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).