2-(4-cyclopropylsulfonylpiperazin-1-yl)-5-methyl-1,3,4-thiadiazole

C10H16N4O2S2 — CID 108780894

IUPAC2-(4-cyclopropylsulfonylpiperazin-1-yl)-5-methyl-1,3,4-thiadiazole
SMILESCc1nnc(N2CCN(S(=O)(=O)C3CC3)CC2)s1
InChIInChI=1S/C10H16N4O2S2/c1-8-11-12-10(17-8)13-4-6-14(7-5-13)18(15,16)9-2-3-9/h9H,2-7H2,1H3
InChIKeyYYVLPENLCSBOQN-UHFFFAOYSA-N
MW288.40 g/mol
LogP0.46
Rot. Bonds3

About 2-(4-cyclopropylsulfonylpiperazin-1-yl)-5-methyl-1,3,4-thiadiazole

2-(4-cyclopropylsulfonylpiperazin-1-yl)-5-methyl-1,3,4-thiadiazole (PubChem CID 108780894) has the molecular formula C10H16N4O2S2 and a molecular weight of 288.40 g/mol. Its IUPAC name is 2-(4-cyclopropylsulfonylpiperazin-1-yl)-5-methyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(4-cyclopropylsulfonylpiperazin-1-yl)-5-methyl-1,3,4-thiadiazole
PubChem CID108780894
Molecular FormulaC10H16N4O2S2
Molecular Weight288.40 g/mol
Exact Mass288.07
IUPAC Name2-(4-cyclopropylsulfonylpiperazin-1-yl)-5-methyl-1,3,4-thiadiazole
SMILESCc1nnc(N2CCN(S(=O)(=O)C3CC3)CC2)s1
InChIInChI=1S/C10H16N4O2S2/c1-8-11-12-10(17-8)13-4-6-14(7-5-13)18(15,16)9-2-3-9/h9H,2-7H2,1H3
InChIKeyYYVLPENLCSBOQN-UHFFFAOYSA-N
XLogP0.46
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropylsulfonylpiperazin-1-yl)-5-methyl-1,3,4-thiadiazole?
The IUPAC name of 2-(4-cyclopropylsulfonylpiperazin-1-yl)-5-methyl-1,3,4-thiadiazole (CID 108780894) is 2-(4-cyclopropylsulfonylpiperazin-1-yl)-5-methyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-(4-cyclopropylsulfonylpiperazin-1-yl)-5-methyl-1,3,4-thiadiazole?
The canonical SMILES for 2-(4-cyclopropylsulfonylpiperazin-1-yl)-5-methyl-1,3,4-thiadiazole is Cc1nnc(N2CCN(S(=O)(=O)C3CC3)CC2)s1.
What is the InChIKey of 2-(4-cyclopropylsulfonylpiperazin-1-yl)-5-methyl-1,3,4-thiadiazole?
The InChIKey is YYVLPENLCSBOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2S2/c1-8-11-12-10(17-8)13-4-6-14(7-5-13)18(15,16)9-2-3-9/h9H,2-7H2,1H3.
What are the key properties of 2-(4-cyclopropylsulfonylpiperazin-1-yl)-5-methyl-1,3,4-thiadiazole?
2-(4-cyclopropylsulfonylpiperazin-1-yl)-5-methyl-1,3,4-thiadiazole has a molecular weight of 288.40 g/mol, XLogP of 0.46, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropylsulfonylpiperazin-1-yl)-5-methyl-1,3,4-thiadiazole is sourced from PubChem (CID 108780894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).