N-methyl-3-(4-methylpiperazin-1-yl)-1,2,4-thiadiazol-5-amine

C8H15N5S — CID 65268913

IUPACN-methyl-3-(4-methylpiperazin-1-yl)-1,2,4-thiadiazol-5-amine
SMILESCNc1nc(N2CCN(C)CC2)ns1
InChIInChI=1S/C8H15N5S/c1-9-8-10-7(11-14-8)13-5-3-12(2)4-6-13/h3-6H2,1-2H3,(H,9,10,11)
InChIKeyPHFMSCXCTSUWCF-UHFFFAOYSA-N
MW213.31 g/mol
LogP0.33
Rot. Bonds2

About N-methyl-3-(4-methylpiperazin-1-yl)-1,2,4-thiadiazol-5-amine

N-methyl-3-(4-methylpiperazin-1-yl)-1,2,4-thiadiazol-5-amine (PubChem CID 65268913) has the molecular formula C8H15N5S and a molecular weight of 213.31 g/mol. Its IUPAC name is N-methyl-3-(4-methylpiperazin-1-yl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-methyl-3-(4-methylpiperazin-1-yl)-1,2,4-thiadiazol-5-amine
PubChem CID65268913
Molecular FormulaC8H15N5S
Molecular Weight213.31 g/mol
Exact Mass213.10
IUPAC NameN-methyl-3-(4-methylpiperazin-1-yl)-1,2,4-thiadiazol-5-amine
SMILESCNc1nc(N2CCN(C)CC2)ns1
InChIInChI=1S/C8H15N5S/c1-9-8-10-7(11-14-8)13-5-3-12(2)4-6-13/h3-6H2,1-2H3,(H,9,10,11)
InChIKeyPHFMSCXCTSUWCF-UHFFFAOYSA-N
XLogP0.33
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-Chloro-1,2,4-thiadiazol-5-yl)-4-methylpiperazine
CID 57712255
5-(Piperazin-1-yl)-1,2,4-thiadiazol-3-amine
CID 71755701
3-N,5-N-diethyl-1,2,4-thiadiazole-3,5-diamine
CID 44452499
5-N-ethyl-1,2,4-thiadiazole-3,5-diamine
CID 55281762
5-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]-1,2,4-thiadiazol-3-amine
CID 66280998
3-Piperazin-1-yl-1,2,4-thiadiazole
CID 18787135
1-(3-Methyl-1,2,4-thiadiazol-5-yl)piperazine
CID 20384280
1-(1,2,4-Thiadiazol-5-YL)piperazine
CID 20384287
3-(4-Methylpiperazin-1-yl)-1,2,4-thiadiazol-5-amine
CID 28908344
3-(4-Methylpiperazin-1-yl)-5-piperazin-1-yl-1,2,4-thiadiazole
CID 57712252
5-Piperazin-1-yl-3-pyrrolidin-1-yl-1,2,4-thiadiazole
CID 57712259
3-(4-methylpiperazin-1-yl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65269225

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(4-methylpiperazin-1-yl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-methyl-3-(4-methylpiperazin-1-yl)-1,2,4-thiadiazol-5-amine (CID 65268913) is N-methyl-3-(4-methylpiperazin-1-yl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-methyl-3-(4-methylpiperazin-1-yl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-methyl-3-(4-methylpiperazin-1-yl)-1,2,4-thiadiazol-5-amine is CNc1nc(N2CCN(C)CC2)ns1.
What is the InChIKey of N-methyl-3-(4-methylpiperazin-1-yl)-1,2,4-thiadiazol-5-amine?
The InChIKey is PHFMSCXCTSUWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5S/c1-9-8-10-7(11-14-8)13-5-3-12(2)4-6-13/h3-6H2,1-2H3,(H,9,10,11).
What are the key properties of N-methyl-3-(4-methylpiperazin-1-yl)-1,2,4-thiadiazol-5-amine?
N-methyl-3-(4-methylpiperazin-1-yl)-1,2,4-thiadiazol-5-amine has a molecular weight of 213.31 g/mol, XLogP of 0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(4-methylpiperazin-1-yl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65268913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).