N-methyl-1-(4-methylphenyl)-N-[(4-methylthiadiazol-5-yl)methyl]piperidin-4-amine

C17H24N4S — CID 50963008

IUPACN-methyl-1-(4-methylphenyl)-N-[(4-methylthiadiazol-5-yl)methyl]piperidin-4-amine
SMILESCc1ccc(N2CCC(N(C)Cc3snnc3C)CC2)cc1
InChIInChI=1S/C17H24N4S/c1-13-4-6-16(7-5-13)21-10-8-15(9-11-21)20(3)12-17-14(2)18-19-22-17/h4-7,15H,8-12H2,1-3H3
InChIKeyFLGOFEWLRAEHJP-UHFFFAOYSA-N
MW316.47 g/mol
LogP3.26
Rot. Bonds4

About N-methyl-1-(4-methylphenyl)-N-[(4-methylthiadiazol-5-yl)methyl]piperidin-4-amine

N-methyl-1-(4-methylphenyl)-N-[(4-methylthiadiazol-5-yl)methyl]piperidin-4-amine (PubChem CID 50963008) has the molecular formula C17H24N4S and a molecular weight of 316.47 g/mol. Its IUPAC name is N-methyl-1-(4-methylphenyl)-N-[(4-methylthiadiazol-5-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound NameN-methyl-1-(4-methylphenyl)-N-[(4-methylthiadiazol-5-yl)methyl]piperidin-4-amine
PubChem CID50963008
Molecular FormulaC17H24N4S
Molecular Weight316.47 g/mol
Exact Mass316.17
IUPAC NameN-methyl-1-(4-methylphenyl)-N-[(4-methylthiadiazol-5-yl)methyl]piperidin-4-amine
SMILESCc1ccc(N2CCC(N(C)Cc3snnc3C)CC2)cc1
InChIInChI=1S/C17H24N4S/c1-13-4-6-16(7-5-13)21-10-8-15(9-11-21)20(3)12-17-14(2)18-19-22-17/h4-7,15H,8-12H2,1-3H3
InChIKeyFLGOFEWLRAEHJP-UHFFFAOYSA-N
XLogP3.26
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methylphenyl)-N-[(4-methylthiadiazol-5-yl)methyl]piperidin-4-amine?
The IUPAC name of N-methyl-1-(4-methylphenyl)-N-[(4-methylthiadiazol-5-yl)methyl]piperidin-4-amine (CID 50963008) is N-methyl-1-(4-methylphenyl)-N-[(4-methylthiadiazol-5-yl)methyl]piperidin-4-amine.
What is the SMILES notation for N-methyl-1-(4-methylphenyl)-N-[(4-methylthiadiazol-5-yl)methyl]piperidin-4-amine?
The canonical SMILES for N-methyl-1-(4-methylphenyl)-N-[(4-methylthiadiazol-5-yl)methyl]piperidin-4-amine is Cc1ccc(N2CCC(N(C)Cc3snnc3C)CC2)cc1.
What is the InChIKey of N-methyl-1-(4-methylphenyl)-N-[(4-methylthiadiazol-5-yl)methyl]piperidin-4-amine?
The InChIKey is FLGOFEWLRAEHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4S/c1-13-4-6-16(7-5-13)21-10-8-15(9-11-21)20(3)12-17-14(2)18-19-22-17/h4-7,15H,8-12H2,1-3H3.
What are the key properties of N-methyl-1-(4-methylphenyl)-N-[(4-methylthiadiazol-5-yl)methyl]piperidin-4-amine?
N-methyl-1-(4-methylphenyl)-N-[(4-methylthiadiazol-5-yl)methyl]piperidin-4-amine has a molecular weight of 316.47 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methylphenyl)-N-[(4-methylthiadiazol-5-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 50963008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).