N-[2-(3-methylpiperidin-1-yl)ethyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine

C15H21N5S — CID 133442238

IUPACN-[2-(3-methylpiperidin-1-yl)ethyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
SMILESCC1CCCN(CCNc2nnc(-c3ccccn3)s2)C1
InChIInChI=1S/C15H21N5S/c1-12-5-4-9-20(11-12)10-8-17-15-19-18-14(21-15)13-6-2-3-7-16-13/h2-3,6-7,12H,4-5,8-11H2,1H3,(H,17,19)
InChIKeyLNOFTKISXYJFAM-UHFFFAOYSA-N
MW303.43 g/mol
LogP2.74
Rot. Bonds5

About N-[2-(3-methylpiperidin-1-yl)ethyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine

N-[2-(3-methylpiperidin-1-yl)ethyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine (PubChem CID 133442238) has the molecular formula C15H21N5S and a molecular weight of 303.43 g/mol. Its IUPAC name is N-[2-(3-methylpiperidin-1-yl)ethyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[2-(3-methylpiperidin-1-yl)ethyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
PubChem CID133442238
Molecular FormulaC15H21N5S
Molecular Weight303.43 g/mol
Exact Mass303.15
IUPAC NameN-[2-(3-methylpiperidin-1-yl)ethyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
SMILESCC1CCCN(CCNc2nnc(-c3ccccn3)s2)C1
InChIInChI=1S/C15H21N5S/c1-12-5-4-9-20(11-12)10-8-17-15-19-18-14(21-15)13-6-2-3-7-16-13/h2-3,6-7,12H,4-5,8-11H2,1H3,(H,17,19)
InChIKeyLNOFTKISXYJFAM-UHFFFAOYSA-N
XLogP2.74
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-cyclopentylpropyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
CID 133468195
N-[(1-cyclopropylcyclobutyl)methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
CID 127863865
4-cyclopentyl-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]pyrimidin-2-amine
CID 95402847
N-(2-methyl-2-methylsulfonylpropyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
CID 133455175
2-[3-(3-methylpiperidin-1-yl)propyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111056945
(3S)-N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]-1-pyridin-2-ylpiperidine-3-carboxamide
CID 124839677
N-(1-benzyl-4-methylpyrrolidin-3-yl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
CID 133473212
[1-[3-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]propyl]piperidin-3-yl]methanol
CID 131890059
3-[[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]methyl]pentan-3-ol
CID 133442973
2-(4-methylazepan-1-yl)-N-(pyridin-2-ylmethyl)ethanamine
CID 63626313
5-pyridin-2-yl-N-(2-pyridin-3-yloxyethyl)-1,3,4-thiadiazol-2-amine
CID 133454814
(3R)-3-hydroxy-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxamide
CID 75467005

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylpiperidin-1-yl)ethyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[2-(3-methylpiperidin-1-yl)ethyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine (CID 133442238) is N-[2-(3-methylpiperidin-1-yl)ethyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[2-(3-methylpiperidin-1-yl)ethyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[2-(3-methylpiperidin-1-yl)ethyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine is CC1CCCN(CCNc2nnc(-c3ccccn3)s2)C1.
What is the InChIKey of N-[2-(3-methylpiperidin-1-yl)ethyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine?
The InChIKey is LNOFTKISXYJFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5S/c1-12-5-4-9-20(11-12)10-8-17-15-19-18-14(21-15)13-6-2-3-7-16-13/h2-3,6-7,12H,4-5,8-11H2,1H3,(H,17,19).
What are the key properties of N-[2-(3-methylpiperidin-1-yl)ethyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine?
N-[2-(3-methylpiperidin-1-yl)ethyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine has a molecular weight of 303.43 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylpiperidin-1-yl)ethyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 133442238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).