3-tert-butyl-N-methyl-N-(piperidin-2-ylmethyl)-1,2,4-thiadiazol-5-amine

C13H24N4S — CID 106642183

IUPAC3-tert-butyl-N-methyl-N-(piperidin-2-ylmethyl)-1,2,4-thiadiazol-5-amine
SMILESCN(CC1CCCCN1)c1nc(C(C)(C)C)ns1
InChIInChI=1S/C13H24N4S/c1-13(2,3)11-15-12(18-16-11)17(4)9-10-7-5-6-8-14-10/h10,14H,5-9H2,1-4H3
InChIKeyOZAYLAJXIBADDM-UHFFFAOYSA-N
MW268.43 g/mol
LogP2.41
Rot. Bonds3

About 3-tert-butyl-N-methyl-N-(piperidin-2-ylmethyl)-1,2,4-thiadiazol-5-amine

3-tert-butyl-N-methyl-N-(piperidin-2-ylmethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 106642183) has the molecular formula C13H24N4S and a molecular weight of 268.43 g/mol. Its IUPAC name is 3-tert-butyl-N-methyl-N-(piperidin-2-ylmethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-tert-butyl-N-methyl-N-(piperidin-2-ylmethyl)-1,2,4-thiadiazol-5-amine
PubChem CID106642183
Molecular FormulaC13H24N4S
Molecular Weight268.43 g/mol
Exact Mass268.17
IUPAC Name3-tert-butyl-N-methyl-N-(piperidin-2-ylmethyl)-1,2,4-thiadiazol-5-amine
SMILESCN(CC1CCCCN1)c1nc(C(C)(C)C)ns1
InChIInChI=1S/C13H24N4S/c1-13(2,3)11-15-12(18-16-11)17(4)9-10-7-5-6-8-14-10/h10,14H,5-9H2,1-4H3
InChIKeyOZAYLAJXIBADDM-UHFFFAOYSA-N
XLogP2.41
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-1-piperidin-2-ylmethanamine;dihydrochloride
CID 45075192
N-methyl-N-(piperidin-2-ylmethyl)-4,5-dihydro-1H-imidazol-2-amine
CID 106635602
2-methyl-N,N-bis(piperidin-2-ylmethyl)propan-2-amine
CID 5252100
2-chloro-N,6-dimethyl-N-(piperidin-2-ylmethyl)pyrimidin-4-amine;hydrochloride
CID 71641823
2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-methylamino]acetic acid
CID 65272817
4-[azepan-2-ylmethyl(methyl)amino]phenol
CID 84697932
3-tert-butyl-N-(piperidin-3-ylmethyl)-N-propyl-1,2,4-thiadiazol-5-amine
CID 106644173
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine
CID 106613833
N'-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-N'-cyclopentylpropane-1,3-diamine
CID 65270547
4-chloro-N-methyl-N-[[(2R)-piperidin-2-yl]methyl]pyrimidin-2-amine
CID 97164172
N,3-dimethyl-N-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazol-5-amine
CID 83831221
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-N-methyl-1-piperidin-2-ylmethanamine
CID 107124551

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-methyl-N-(piperidin-2-ylmethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-tert-butyl-N-methyl-N-(piperidin-2-ylmethyl)-1,2,4-thiadiazol-5-amine (CID 106642183) is 3-tert-butyl-N-methyl-N-(piperidin-2-ylmethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-tert-butyl-N-methyl-N-(piperidin-2-ylmethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-tert-butyl-N-methyl-N-(piperidin-2-ylmethyl)-1,2,4-thiadiazol-5-amine is CN(CC1CCCCN1)c1nc(C(C)(C)C)ns1.
What is the InChIKey of 3-tert-butyl-N-methyl-N-(piperidin-2-ylmethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is OZAYLAJXIBADDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4S/c1-13(2,3)11-15-12(18-16-11)17(4)9-10-7-5-6-8-14-10/h10,14H,5-9H2,1-4H3.
What are the key properties of 3-tert-butyl-N-methyl-N-(piperidin-2-ylmethyl)-1,2,4-thiadiazol-5-amine?
3-tert-butyl-N-methyl-N-(piperidin-2-ylmethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 268.43 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-methyl-N-(piperidin-2-ylmethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 106642183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).