2-methyl-5-piperazin-1-yl-1,3,4-thiadiazole

C7H12N4S — CID 11171390

IUPAC2-methyl-5-piperazin-1-yl-1,3,4-thiadiazole
SMILESCc1nnc(N2CCNCC2)s1
InChIInChI=1S/C7H12N4S/c1-6-9-10-7(12-6)11-4-2-8-3-5-11/h8H,2-5H2,1H3
InChIKeyAXYOQFCCRRADTR-UHFFFAOYSA-N
MW184.27 g/mol
LogP0.26
Rot. Bonds1

About 2-methyl-5-piperazin-1-yl-1,3,4-thiadiazole

2-methyl-5-piperazin-1-yl-1,3,4-thiadiazole (PubChem CID 11171390) has the molecular formula C7H12N4S and a molecular weight of 184.27 g/mol. Its IUPAC name is 2-methyl-5-piperazin-1-yl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-methyl-5-piperazin-1-yl-1,3,4-thiadiazole
PubChem CID11171390
Molecular FormulaC7H12N4S
Molecular Weight184.27 g/mol
Exact Mass184.08
IUPAC Name2-methyl-5-piperazin-1-yl-1,3,4-thiadiazole
SMILESCc1nnc(N2CCNCC2)s1
InChIInChI=1S/C7H12N4S/c1-6-9-10-7(12-6)11-4-2-8-3-5-11/h8H,2-5H2,1H3
InChIKeyAXYOQFCCRRADTR-UHFFFAOYSA-N
XLogP0.26
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.27
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-piperazin-1-yl-1,3,4-thiadiazole?
The IUPAC name of 2-methyl-5-piperazin-1-yl-1,3,4-thiadiazole (CID 11171390) is 2-methyl-5-piperazin-1-yl-1,3,4-thiadiazole.
What is the SMILES notation for 2-methyl-5-piperazin-1-yl-1,3,4-thiadiazole?
The canonical SMILES for 2-methyl-5-piperazin-1-yl-1,3,4-thiadiazole is Cc1nnc(N2CCNCC2)s1.
What is the InChIKey of 2-methyl-5-piperazin-1-yl-1,3,4-thiadiazole?
The InChIKey is AXYOQFCCRRADTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4S/c1-6-9-10-7(12-6)11-4-2-8-3-5-11/h8H,2-5H2,1H3.
What are the key properties of 2-methyl-5-piperazin-1-yl-1,3,4-thiadiazole?
2-methyl-5-piperazin-1-yl-1,3,4-thiadiazole has a molecular weight of 184.27 g/mol, XLogP of 0.26, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-piperazin-1-yl-1,3,4-thiadiazole is sourced from PubChem (CID 11171390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).