4-methyl-5-piperazin-1-ylthiadiazole

C7H12N4S — CID 96626916

IUPAC4-methyl-5-piperazin-1-ylthiadiazole
SMILESCc1nnsc1N1CCNCC1
InChIInChI=1S/C7H12N4S/c1-6-7(12-10-9-6)11-4-2-8-3-5-11/h8H,2-5H2,1H3
InChIKeyIAEQEVBIBJAJSB-UHFFFAOYSA-N
MW184.27 g/mol
LogP0.26
Rot. Bonds1

About 4-methyl-5-piperazin-1-ylthiadiazole

4-methyl-5-piperazin-1-ylthiadiazole (PubChem CID 96626916) has the molecular formula C7H12N4S and a molecular weight of 184.27 g/mol. Its IUPAC name is 4-methyl-5-piperazin-1-ylthiadiazole.

Molecular Properties

Compound Name4-methyl-5-piperazin-1-ylthiadiazole
PubChem CID96626916
Molecular FormulaC7H12N4S
Molecular Weight184.27 g/mol
Exact Mass184.08
IUPAC Name4-methyl-5-piperazin-1-ylthiadiazole
SMILESCc1nnsc1N1CCNCC1
InChIInChI=1S/C7H12N4S/c1-6-7(12-10-9-6)11-4-2-8-3-5-11/h8H,2-5H2,1H3
InChIKeyIAEQEVBIBJAJSB-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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Related Compounds

5-Piperazin-1-yl-4-(trifluoromethyl)thiadiazole
CID 141371462
N-methyl-4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiadiazol-5-amine
CID 62968272
N-ethyl-4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiadiazol-5-amine
CID 62968273
N-propyl-4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiadiazol-5-amine
CID 62968274
5-(Ethylamino)thiadiazole-4-carbothioamide
CID 14979647
5-(Butylamino)thiadiazole-4-carbothioamide
CID 14146091
4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-N-ethylthiadiazol-5-amine
CID 55046143
4-[[bis(2-methylpropyl)amino]methyl]-N-propylthiadiazol-5-amine
CID 55046220
N,N-dimethyl-N'-propyl-N'-[[5-(propylamino)thiadiazol-4-yl]methyl]ethane-1,2-diamine
CID 55046324
4-[(dipropylamino)methyl]-N-propylthiadiazol-5-amine
CID 55046398
4-[(4-ethylpiperazin-1-yl)methyl]-N-propylthiadiazol-5-amine
CID 55046442
N'-[[5-(ethylamino)thiadiazol-4-yl]methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 55046461

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-piperazin-1-ylthiadiazole?
The IUPAC name of 4-methyl-5-piperazin-1-ylthiadiazole (CID 96626916) is 4-methyl-5-piperazin-1-ylthiadiazole.
What is the SMILES notation for 4-methyl-5-piperazin-1-ylthiadiazole?
The canonical SMILES for 4-methyl-5-piperazin-1-ylthiadiazole is Cc1nnsc1N1CCNCC1.
What is the InChIKey of 4-methyl-5-piperazin-1-ylthiadiazole?
The InChIKey is IAEQEVBIBJAJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4S/c1-6-7(12-10-9-6)11-4-2-8-3-5-11/h8H,2-5H2,1H3.
What are the key properties of 4-methyl-5-piperazin-1-ylthiadiazole?
4-methyl-5-piperazin-1-ylthiadiazole 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 4-methyl-5-piperazin-1-ylthiadiazole is sourced from PubChem (CID 96626916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).