N-(1-benzylpiperidin-4-yl)-5-cyclopropyl-1,3,4-thiadiazol-2-amine

C17H22N4S — CID 133366013

IUPACN-(1-benzylpiperidin-4-yl)-5-cyclopropyl-1,3,4-thiadiazol-2-amine
SMILESc1ccc(CN2CCC(Nc3nnc(C4CC4)s3)CC2)cc1
InChIInChI=1S/C17H22N4S/c1-2-4-13(5-3-1)12-21-10-8-15(9-11-21)18-17-20-19-16(22-17)14-6-7-14/h1-5,14-15H,6-12H2,(H,18,20)
InChIKeyVIMJKZDZDZWUAG-UHFFFAOYSA-N
MW314.46 g/mol
LogP3.49
Rot. Bonds5

About N-(1-benzylpiperidin-4-yl)-5-cyclopropyl-1,3,4-thiadiazol-2-amine

N-(1-benzylpiperidin-4-yl)-5-cyclopropyl-1,3,4-thiadiazol-2-amine (PubChem CID 133366013) has the molecular formula C17H22N4S and a molecular weight of 314.46 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-5-cyclopropyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-5-cyclopropyl-1,3,4-thiadiazol-2-amine
PubChem CID133366013
Molecular FormulaC17H22N4S
Molecular Weight314.46 g/mol
Exact Mass314.16
IUPAC NameN-(1-benzylpiperidin-4-yl)-5-cyclopropyl-1,3,4-thiadiazol-2-amine
SMILESc1ccc(CN2CCC(Nc3nnc(C4CC4)s3)CC2)cc1
InChIInChI=1S/C17H22N4S/c1-2-4-13(5-3-1)12-21-10-8-15(9-11-21)18-17-20-19-16(22-17)14-6-7-14/h1-5,14-15H,6-12H2,(H,18,20)
InChIKeyVIMJKZDZDZWUAG-UHFFFAOYSA-N
XLogP3.49
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.46
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-benzylpiperidin-4-yl)-5-ethyl-1,3,4-thiadiazol-2-amine
CID 107648132
2-(4-benzylpiperazin-1-yl)-5-cyclopropyl-1,3,4-thiadiazole
CID 133365872
N-benzyl-5-cyclopropyl-1,3,4-thiadiazol-2-amine
CID 131017877
1-benzyl-N-methylpiperidin-4-amine
CID 4136128
3-[[4-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]piperidin-1-yl]methyl]benzonitrile
CID 167935104
2-[(1-benzylpiperidin-4-yl)amino]-N-phenyl-1,3-thiazole-5-carboxamide
CID 117087880
2-N,4-N-bis(1-benzylpiperidin-4-yl)pyrimidine-2,4-diamine
CID 117081882
5-(aminomethyl)-N-(1-benzylpiperidin-4-yl)-1,3,4-oxadiazol-2-amine
CID 106966826
N-(1-ethylpyrrolidin-3-yl)-5-phenyl-1,3,4-thiadiazol-2-amine
CID 131889047
1-benzyl-N-(1H-pyrazol-4-yl)piperidin-4-amine
CID 43540095
N-(1-benzylpiperidin-4-yl)-1H-indol-2-amine
CID 141333919
N-(1-benzylpiperidin-4-yl)-5-bromopyridin-2-amine
CID 29049157

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-5-cyclopropyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-5-cyclopropyl-1,3,4-thiadiazol-2-amine (CID 133366013) is N-(1-benzylpiperidin-4-yl)-5-cyclopropyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-5-cyclopropyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-5-cyclopropyl-1,3,4-thiadiazol-2-amine is c1ccc(CN2CCC(Nc3nnc(C4CC4)s3)CC2)cc1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-5-cyclopropyl-1,3,4-thiadiazol-2-amine?
The InChIKey is VIMJKZDZDZWUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4S/c1-2-4-13(5-3-1)12-21-10-8-15(9-11-21)18-17-20-19-16(22-17)14-6-7-14/h1-5,14-15H,6-12H2,(H,18,20).
What are the key properties of N-(1-benzylpiperidin-4-yl)-5-cyclopropyl-1,3,4-thiadiazol-2-amine?
N-(1-benzylpiperidin-4-yl)-5-cyclopropyl-1,3,4-thiadiazol-2-amine has a molecular weight of 314.46 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-5-cyclopropyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 133366013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).