3-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)-1,2,4-thiadiazol-5-amine

C12H22N4S — CID 65268264

IUPAC3-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NCC(C)CN2CCCCC2)n1
InChIInChI=1S/C12H22N4S/c1-10(9-16-6-4-3-5-7-16)8-13-12-14-11(2)15-17-12/h10H,3-9H2,1-2H3,(H,13,14,15)
InChIKeyMZHFTJNQGMEGCD-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.38
Rot. Bonds5

About 3-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)-1,2,4-thiadiazol-5-amine

3-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)-1,2,4-thiadiazol-5-amine (PubChem CID 65268264) has the molecular formula C12H22N4S and a molecular weight of 254.40 g/mol. Its IUPAC name is 3-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)-1,2,4-thiadiazol-5-amine
PubChem CID65268264
Molecular FormulaC12H22N4S
Molecular Weight254.40 g/mol
Exact Mass254.16
IUPAC Name3-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NCC(C)CN2CCCCC2)n1
InChIInChI=1S/C12H22N4S/c1-10(9-16-6-4-3-5-7-16)8-13-12-14-11(2)15-17-12/h10H,3-9H2,1-2H3,(H,13,14,15)
InChIKeyMZHFTJNQGMEGCD-UHFFFAOYSA-N
XLogP2.38
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-Methylpiperidin-4-yl)-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea
CID 47000263
3-methyl-N-(1-propylpiperidin-4-yl)-1,2,4-thiadiazol-5-amine
CID 65267689
3-ethyl-N-(1-propylpiperidin-4-yl)-1,2,4-thiadiazol-5-amine
CID 65276447
3-methyl-N-[1-(2-methylprop-2-enyl)piperidin-4-yl]-1,2,4-thiadiazol-5-amine
CID 71996531
1-(3-Methyl-1,2,4-thiadiazol-5-yl)piperidin-4-amine
CID 58397876
4-(aminomethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 46984917
3-(aminomethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 46986528
1-(3-Ethyl-1,2,4-thiadiazol-5-yl)piperazine
CID 53403990
3-cyclopropyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,2,4-thiadiazol-5-amine
CID 65472416
2-[4-[[(3-Tert-butyl-1,2,4-thiadiazol-5-yl)amino]methyl]piperidin-1-yl]acetonitrile
CID 86817139
N-[[(2R)-1-ethylpiperidin-2-yl]methyl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 97594400
(3S)-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxamide
CID 97823064

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)-1,2,4-thiadiazol-5-amine (CID 65268264) is 3-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)-1,2,4-thiadiazol-5-amine is Cc1nsc(NCC(C)CN2CCCCC2)n1.
What is the InChIKey of 3-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is MZHFTJNQGMEGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4S/c1-10(9-16-6-4-3-5-7-16)8-13-12-14-11(2)15-17-12/h10H,3-9H2,1-2H3,(H,13,14,15).
What are the key properties of 3-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)-1,2,4-thiadiazol-5-amine?
3-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 254.40 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65268264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).