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

C18H26N4S — CID 56889639

IUPAC1-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-N-(2-phenylethyl)piperidin-4-amine
SMILESCc1nnc(CN(CCc2ccccc2)C2CCN(C)CC2)s1
InChIInChI=1S/C18H26N4S/c1-15-19-20-18(23-15)14-22(17-9-11-21(2)12-10-17)13-8-16-6-4-3-5-7-16/h3-7,17H,8-14H2,1-2H3
InChIKeySPQIYZUHXDRNRM-UHFFFAOYSA-N
MW330.50 g/mol
LogP2.99
Rot. Bonds6

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

1-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-N-(2-phenylethyl)piperidin-4-amine (PubChem CID 56889639) has the molecular formula C18H26N4S and a molecular weight of 330.50 g/mol. Its IUPAC name is 1-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-N-(2-phenylethyl)piperidin-4-amine.

Molecular Properties

Compound Name1-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-N-(2-phenylethyl)piperidin-4-amine
PubChem CID56889639
Molecular FormulaC18H26N4S
Molecular Weight330.50 g/mol
Exact Mass330.19
IUPAC Name1-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-N-(2-phenylethyl)piperidin-4-amine
SMILESCc1nnc(CN(CCc2ccccc2)C2CCN(C)CC2)s1
InChIInChI=1S/C18H26N4S/c1-15-19-20-18(23-15)14-22(17-9-11-21(2)12-10-17)13-8-16-6-4-3-5-7-16/h3-7,17H,8-14H2,1-2H3
InChIKeySPQIYZUHXDRNRM-UHFFFAOYSA-N
XLogP2.99
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.50
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-N-(2-phenylethyl)piperidin-4-amine?
The IUPAC name of 1-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-N-(2-phenylethyl)piperidin-4-amine (CID 56889639) is 1-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-N-(2-phenylethyl)piperidin-4-amine.
What is the SMILES notation for 1-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-N-(2-phenylethyl)piperidin-4-amine?
The canonical SMILES for 1-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-N-(2-phenylethyl)piperidin-4-amine is Cc1nnc(CN(CCc2ccccc2)C2CCN(C)CC2)s1.
What is the InChIKey of 1-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-N-(2-phenylethyl)piperidin-4-amine?
The InChIKey is SPQIYZUHXDRNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4S/c1-15-19-20-18(23-15)14-22(17-9-11-21(2)12-10-17)13-8-16-6-4-3-5-7-16/h3-7,17H,8-14H2,1-2H3.
What are the key properties of 1-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-N-(2-phenylethyl)piperidin-4-amine?
1-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-N-(2-phenylethyl)piperidin-4-amine has a molecular weight of 330.50 g/mol, XLogP of 2.99, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-N-(2-phenylethyl)piperidin-4-amine is sourced from PubChem (CID 56889639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).