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

C16H22N4S — CID 107648132

IUPACN-(1-benzylpiperidin-4-yl)-5-ethyl-1,3,4-thiadiazol-2-amine
SMILESCCc1nnc(NC2CCN(Cc3ccccc3)CC2)s1
InChIInChI=1S/C16H22N4S/c1-2-15-18-19-16(21-15)17-14-8-10-20(11-9-14)12-13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3,(H,17,19)
InChIKeyCCZVHEISAKUOPH-UHFFFAOYSA-N
MW302.45 g/mol
LogP3.18
Rot. Bonds5

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

N-(1-benzylpiperidin-4-yl)-5-ethyl-1,3,4-thiadiazol-2-amine (PubChem CID 107648132) has the molecular formula C16H22N4S and a molecular weight of 302.45 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-5-ethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-5-ethyl-1,3,4-thiadiazol-2-amine
PubChem CID107648132
Molecular FormulaC16H22N4S
Molecular Weight302.45 g/mol
Exact Mass302.16
IUPAC NameN-(1-benzylpiperidin-4-yl)-5-ethyl-1,3,4-thiadiazol-2-amine
SMILESCCc1nnc(NC2CCN(Cc3ccccc3)CC2)s1
InChIInChI=1S/C16H22N4S/c1-2-15-18-19-16(21-15)17-14-8-10-20(11-9-14)12-13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3,(H,17,19)
InChIKeyCCZVHEISAKUOPH-UHFFFAOYSA-N
XLogP3.18
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.45
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-benzylpiperidin-4-yl)-5-cyclopropyl-1,3,4-thiadiazol-2-amine
CID 133366013
N-(4,4-dimethylcyclohexyl)-5-ethyl-1,3,4-thiadiazol-2-amine
CID 107648100
1-benzyl-N-methylpiperidin-4-amine
CID 4136128
N-(1-ethylpyrrolidin-3-yl)-5-phenyl-1,3,4-thiadiazol-2-amine
CID 131889047
1-benzyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-amine
CID 60982783
3-[[4-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]piperidin-1-yl]methyl]benzonitrile
CID 167935104
N-(1-benzylpiperidin-4-yl)thieno[2,3-d]pyrimidin-4-amine;ethane
CID 90925941
2-[(1-benzylpiperidin-4-yl)amino]-N-phenyl-1,3-thiazole-5-carboxamide
CID 117087880
N-(1-benzylpiperidin-4-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine;ethane
CID 91532309
N-(1-benzylpiperidin-3-yl)-3-ethyl-1,2,4-thiadiazol-5-amine
CID 65273828
2-N-(1-benzylpiperidin-4-yl)-6-chloro-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 113258961
1-benzyl-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-3,5-dimethylpiperidin-4-amine
CID 91651434

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-5-ethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-5-ethyl-1,3,4-thiadiazol-2-amine (CID 107648132) is N-(1-benzylpiperidin-4-yl)-5-ethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-5-ethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-5-ethyl-1,3,4-thiadiazol-2-amine is CCc1nnc(NC2CCN(Cc3ccccc3)CC2)s1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-5-ethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is CCZVHEISAKUOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4S/c1-2-15-18-19-16(21-15)17-14-8-10-20(11-9-14)12-13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3,(H,17,19).
What are the key properties of N-(1-benzylpiperidin-4-yl)-5-ethyl-1,3,4-thiadiazol-2-amine?
N-(1-benzylpiperidin-4-yl)-5-ethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 302.45 g/mol, XLogP of 3.18, 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-ethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 107648132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).