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

C10H18N4S — CID 107647794

IUPAC5-ethyl-N-(piperidin-3-ylmethyl)-1,3,4-thiadiazol-2-amine
SMILESCCc1nnc(NCC2CCCNC2)s1
InChIInChI=1S/C10H18N4S/c1-2-9-13-14-10(15-9)12-7-8-4-3-5-11-6-8/h8,11H,2-7H2,1H3,(H,12,14)
InChIKeyXAQGKHNJJMLPDS-UHFFFAOYSA-N
MW226.35 g/mol
LogP1.51
Rot. Bonds4

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

5-ethyl-N-(piperidin-3-ylmethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 107647794) has the molecular formula C10H18N4S and a molecular weight of 226.35 g/mol. Its IUPAC name is 5-ethyl-N-(piperidin-3-ylmethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-ethyl-N-(piperidin-3-ylmethyl)-1,3,4-thiadiazol-2-amine
PubChem CID107647794
Molecular FormulaC10H18N4S
Molecular Weight226.35 g/mol
Exact Mass226.13
IUPAC Name5-ethyl-N-(piperidin-3-ylmethyl)-1,3,4-thiadiazol-2-amine
SMILESCCc1nnc(NCC2CCCNC2)s1
InChIInChI=1S/C10H18N4S/c1-2-9-13-14-10(15-9)12-7-8-4-3-5-11-6-8/h8,11H,2-7H2,1H3,(H,12,14)
InChIKeyXAQGKHNJJMLPDS-UHFFFAOYSA-N
XLogP1.51
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.35
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-methylpropyl)-N-(piperidin-3-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 106260538
5-ethyl-N-[(1-methylpiperidin-3-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 107647561
(3R)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 107641885
N-(2-cyclohexylethyl)-5-ethyl-1,3,4-thiadiazol-2-amine
CID 107648019
N-(cycloheptylmethyl)-5-methyl-1,3,4-thiadiazol-2-amine
CID 107648211
N-[[(3R)-piperidin-3-yl]methyl]ethanamine
CID 86317945
3-ethyl-1-methyl-N-(piperidin-3-ylmethyl)pyrazol-4-amine
CID 107462376
5,6-diethyl-3-(piperidin-3-ylmethylamino)pyridazine-4-carbonitrile
CID 80515149
5-ethyl-N-(2-methylcyclopentyl)-1,3,4-thiadiazol-2-amine
CID 107647698
4-ethyl-5-methyl-2-(piperidin-3-ylmethylamino)-1H-pyrimidin-6-one
CID 136740938
5-bromo-N-(cyclobutylmethyl)-1,3,4-thiadiazol-2-amine
CID 64624511
5-ethyl-N-(thian-4-yl)-1,3,4-thiadiazol-2-amine
CID 107647994

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(piperidin-3-ylmethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-ethyl-N-(piperidin-3-ylmethyl)-1,3,4-thiadiazol-2-amine (CID 107647794) is 5-ethyl-N-(piperidin-3-ylmethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-ethyl-N-(piperidin-3-ylmethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-ethyl-N-(piperidin-3-ylmethyl)-1,3,4-thiadiazol-2-amine is CCc1nnc(NCC2CCCNC2)s1.
What is the InChIKey of 5-ethyl-N-(piperidin-3-ylmethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is XAQGKHNJJMLPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4S/c1-2-9-13-14-10(15-9)12-7-8-4-3-5-11-6-8/h8,11H,2-7H2,1H3,(H,12,14).
What are the key properties of 5-ethyl-N-(piperidin-3-ylmethyl)-1,3,4-thiadiazol-2-amine?
5-ethyl-N-(piperidin-3-ylmethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 226.35 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-(piperidin-3-ylmethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 107647794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).