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

C16H22N4S — CID 65273828

IUPACN-(1-benzylpiperidin-3-yl)-3-ethyl-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(NC2CCCN(Cc3ccccc3)C2)n1
InChIInChI=1S/C16H22N4S/c1-2-15-18-16(21-19-15)17-14-9-6-10-20(12-14)11-13-7-4-3-5-8-13/h3-5,7-8,14H,2,6,9-12H2,1H3,(H,17,18,19)
InChIKeyPBYOCEUEBXBCHA-UHFFFAOYSA-N
MW302.45 g/mol
LogP3.18
Rot. Bonds5

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

N-(1-benzylpiperidin-3-yl)-3-ethyl-1,2,4-thiadiazol-5-amine (PubChem CID 65273828) has the molecular formula C16H22N4S and a molecular weight of 302.45 g/mol. Its IUPAC name is N-(1-benzylpiperidin-3-yl)-3-ethyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(1-benzylpiperidin-3-yl)-3-ethyl-1,2,4-thiadiazol-5-amine
PubChem CID65273828
Molecular FormulaC16H22N4S
Molecular Weight302.45 g/mol
Exact Mass302.16
IUPAC NameN-(1-benzylpiperidin-3-yl)-3-ethyl-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(NC2CCCN(Cc3ccccc3)C2)n1
InChIInChI=1S/C16H22N4S/c1-2-15-18-16(21-19-15)17-14-9-6-10-20(12-14)11-13-7-4-3-5-8-13/h3-5,7-8,14H,2,6,9-12H2,1H3,(H,17,18,19)
InChIKeyPBYOCEUEBXBCHA-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

(3R)-1-benzyl-N-methylpiperidin-3-amine;sulfane
CID 162106706
N-(1-benzylpiperidin-3-yl)-2-chloropyridin-4-amine
CID 80522263
N-(1-benzylpiperidin-3-yl)-2-methylpyridin-3-amine
CID 79042917
3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxamide
CID 86788817
1-benzyl-N-butan-2-ylpiperidin-3-amine
CID 43145137
N-(1-benzylpiperidin-3-yl)-5-fluoropyrimidin-2-amine
CID 115749931
N-[(3R)-1-benzylpyrrolidin-3-yl]-5-ethylpyrimidin-2-amine
CID 97203878
1-benzyl-N-(1-methyltetrazol-5-yl)piperidin-3-amine
CID 63719013
1-benzyl-N-(1H-imidazol-2-yl)piperidin-3-amine
CID 106575517
N-methyl-1-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]piperidin-3-amine;dihydrochloride
CID 119918423
2-N-[(3R)-1-benzylpiperidin-3-yl]quinazoline-2,4-diamine
CID 99780455
1-benzyl-N-(thian-4-yl)piperidin-3-amine
CID 60761750

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-3-yl)-3-ethyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(1-benzylpiperidin-3-yl)-3-ethyl-1,2,4-thiadiazol-5-amine (CID 65273828) is N-(1-benzylpiperidin-3-yl)-3-ethyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(1-benzylpiperidin-3-yl)-3-ethyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(1-benzylpiperidin-3-yl)-3-ethyl-1,2,4-thiadiazol-5-amine is CCc1nsc(NC2CCCN(Cc3ccccc3)C2)n1.
What is the InChIKey of N-(1-benzylpiperidin-3-yl)-3-ethyl-1,2,4-thiadiazol-5-amine?
The InChIKey is PBYOCEUEBXBCHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4S/c1-2-15-18-16(21-19-15)17-14-9-6-10-20(12-14)11-13-7-4-3-5-8-13/h3-5,7-8,14H,2,6,9-12H2,1H3,(H,17,18,19).
What are the key properties of N-(1-benzylpiperidin-3-yl)-3-ethyl-1,2,4-thiadiazol-5-amine?
N-(1-benzylpiperidin-3-yl)-3-ethyl-1,2,4-thiadiazol-5-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-3-yl)-3-ethyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65273828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).