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

C11H20N4S — CID 107647561

IUPAC5-ethyl-N-[(1-methylpiperidin-3-yl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCCc1nnc(NCC2CCCN(C)C2)s1
InChIInChI=1S/C11H20N4S/c1-3-10-13-14-11(16-10)12-7-9-5-4-6-15(2)8-9/h9H,3-8H2,1-2H3,(H,12,14)
InChIKeyLMBKRKBZWDMRRM-UHFFFAOYSA-N
MW240.38 g/mol
LogP1.85
Rot. Bonds4

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

5-ethyl-N-[(1-methylpiperidin-3-yl)methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 107647561) has the molecular formula C11H20N4S and a molecular weight of 240.38 g/mol. Its IUPAC name is 5-ethyl-N-[(1-methylpiperidin-3-yl)methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-ethyl-N-[(1-methylpiperidin-3-yl)methyl]-1,3,4-thiadiazol-2-amine
PubChem CID107647561
Molecular FormulaC11H20N4S
Molecular Weight240.38 g/mol
Exact Mass240.14
IUPAC Name5-ethyl-N-[(1-methylpiperidin-3-yl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCCc1nnc(NCC2CCCN(C)C2)s1
InChIInChI=1S/C11H20N4S/c1-3-10-13-14-11(16-10)12-7-9-5-4-6-15(2)8-9/h9H,3-8H2,1-2H3,(H,12,14)
InChIKeyLMBKRKBZWDMRRM-UHFFFAOYSA-N
XLogP1.85
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.38
LogP ≤ 51.85
H-Bond Donors ≤ 51
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-(2-cyclohexylethyl)-5-ethyl-1,3,4-thiadiazol-2-amine
CID 107648019
5-ethyl-N-[(5-methyloxolan-2-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 107647956
2-[[5-[(1-methylpyrrolidin-3-yl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid
CID 60855445
5-[[(3R)-1-methylpiperidin-3-yl]methylsulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]-1,3,4-thiadiazol-2-amine
CID 124813826
6-methyl-N-[(1-methylpiperidin-3-yl)methyl]-1,3-benzothiazol-2-amine
CID 79142087
methyl 2-[(1-methylpiperidin-3-yl)methylamino]-1,3-thiazole-4-carboxylate
CID 113306855
3-(aminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-1-sulfonamide
CID 106089726
5-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 65209104
N-(1-methylpiperidin-3-yl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 114165463
trans-(1S,3R)-3-[[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]methyl]-2,2-dimethylcyclobutan-1-ol
CID 167861819
N-(cyclopropylmethyl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 106260949

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[(1-methylpiperidin-3-yl)methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-ethyl-N-[(1-methylpiperidin-3-yl)methyl]-1,3,4-thiadiazol-2-amine (CID 107647561) is 5-ethyl-N-[(1-methylpiperidin-3-yl)methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-ethyl-N-[(1-methylpiperidin-3-yl)methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-ethyl-N-[(1-methylpiperidin-3-yl)methyl]-1,3,4-thiadiazol-2-amine is CCc1nnc(NCC2CCCN(C)C2)s1.
What is the InChIKey of 5-ethyl-N-[(1-methylpiperidin-3-yl)methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is LMBKRKBZWDMRRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4S/c1-3-10-13-14-11(16-10)12-7-9-5-4-6-15(2)8-9/h9H,3-8H2,1-2H3,(H,12,14).
What are the key properties of 5-ethyl-N-[(1-methylpiperidin-3-yl)methyl]-1,3,4-thiadiazol-2-amine?
5-ethyl-N-[(1-methylpiperidin-3-yl)methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 240.38 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[(1-methylpiperidin-3-yl)methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 107647561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).