5-(2-methylpropyl)-N-(piperidin-3-ylmethyl)-1,3,4-thiadiazol-2-amine

C12H22N4S — CID 106260538

IUPAC5-(2-methylpropyl)-N-(piperidin-3-ylmethyl)-1,3,4-thiadiazol-2-amine
SMILESCC(C)Cc1nnc(NCC2CCCNC2)s1
InChIInChI=1S/C12H22N4S/c1-9(2)6-11-15-16-12(17-11)14-8-10-4-3-5-13-7-10/h9-10,13H,3-8H2,1-2H3,(H,14,16)
InChIKeyTYCXAFPSUHXWHJ-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.15
Rot. Bonds5

About 5-(2-methylpropyl)-N-(piperidin-3-ylmethyl)-1,3,4-thiadiazol-2-amine

5-(2-methylpropyl)-N-(piperidin-3-ylmethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 106260538) has the molecular formula C12H22N4S and a molecular weight of 254.40 g/mol. Its IUPAC name is 5-(2-methylpropyl)-N-(piperidin-3-ylmethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(2-methylpropyl)-N-(piperidin-3-ylmethyl)-1,3,4-thiadiazol-2-amine
PubChem CID106260538
Molecular FormulaC12H22N4S
Molecular Weight254.40 g/mol
Exact Mass254.16
IUPAC Name5-(2-methylpropyl)-N-(piperidin-3-ylmethyl)-1,3,4-thiadiazol-2-amine
SMILESCC(C)Cc1nnc(NCC2CCCNC2)s1
InChIInChI=1S/C12H22N4S/c1-9(2)6-11-15-16-12(17-11)14-8-10-4-3-5-13-7-10/h9-10,13H,3-8H2,1-2H3,(H,14,16)
InChIKeyTYCXAFPSUHXWHJ-UHFFFAOYSA-N
XLogP2.15
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-ethyl-N-(piperidin-3-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 107647794
N-(cyclopropylmethyl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 106260949
5-(2-methylpropyl)-N-piperidin-4-yl-1,3,4-thiadiazol-2-amine
CID 106260980
N-(azetidin-3-yl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 106260177
N-(4-ethylcycloheptyl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 106260643
N-(2,6-dimethylcyclohexyl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 114165428
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide
CID 110461380
N-(2-methylcyclopentyl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 106260329
N-(1-methylpiperidin-3-yl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 114165463
N-(2,2-dimethylcyclopentyl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 114165506
N-(cycloheptylmethyl)-5-methyl-1,3,4-thiadiazol-2-amine
CID 107648211
2-(2-methylpropyl)-5-[6-(piperidin-3-ylmethyl)pyrazin-2-yl]-1,3-thiazole
CID 110131736

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-N-(piperidin-3-ylmethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(2-methylpropyl)-N-(piperidin-3-ylmethyl)-1,3,4-thiadiazol-2-amine (CID 106260538) is 5-(2-methylpropyl)-N-(piperidin-3-ylmethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(2-methylpropyl)-N-(piperidin-3-ylmethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(2-methylpropyl)-N-(piperidin-3-ylmethyl)-1,3,4-thiadiazol-2-amine is CC(C)Cc1nnc(NCC2CCCNC2)s1.
What is the InChIKey of 5-(2-methylpropyl)-N-(piperidin-3-ylmethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is TYCXAFPSUHXWHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4S/c1-9(2)6-11-15-16-12(17-11)14-8-10-4-3-5-13-7-10/h9-10,13H,3-8H2,1-2H3,(H,14,16).
What are the key properties of 5-(2-methylpropyl)-N-(piperidin-3-ylmethyl)-1,3,4-thiadiazol-2-amine?
5-(2-methylpropyl)-N-(piperidin-3-ylmethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 254.40 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-N-(piperidin-3-ylmethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 106260538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).