4-methyl-1-(5-naphthalen-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-amine

C18H20N4S — CID 177371143

IUPAC4-methyl-1-(5-naphthalen-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-amine
SMILESCC1(N)CCN(c2nnc(-c3ccc4ccccc4c3)s2)CC1
InChIInChI=1S/C18H20N4S/c1-18(19)8-10-22(11-9-18)17-21-20-16(23-17)15-7-6-13-4-2-3-5-14(13)12-15/h2-7,12H,8-11,19H2,1H3
InChIKeyKXHXMWSBOWGBSB-UHFFFAOYSA-N
MW324.45 g/mol
LogP3.68
Rot. Bonds2

About 4-methyl-1-(5-naphthalen-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-amine

4-methyl-1-(5-naphthalen-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-amine (PubChem CID 177371143) has the molecular formula C18H20N4S and a molecular weight of 324.45 g/mol. Its IUPAC name is 4-methyl-1-(5-naphthalen-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-amine.

Molecular Properties

Compound Name4-methyl-1-(5-naphthalen-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-amine
PubChem CID177371143
Molecular FormulaC18H20N4S
Molecular Weight324.45 g/mol
Exact Mass324.14
IUPAC Name4-methyl-1-(5-naphthalen-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-amine
SMILESCC1(N)CCN(c2nnc(-c3ccc4ccccc4c3)s2)CC1
InChIInChI=1S/C18H20N4S/c1-18(19)8-10-22(11-9-18)17-21-20-16(23-17)15-7-6-13-4-2-3-5-14(13)12-15/h2-7,12H,8-11,19H2,1H3
InChIKeyKXHXMWSBOWGBSB-UHFFFAOYSA-N
XLogP3.68
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-methyl-1-(5-naphthalen-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(5-naphthalen-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-amine?
The IUPAC name of 4-methyl-1-(5-naphthalen-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-amine (CID 177371143) is 4-methyl-1-(5-naphthalen-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-amine.
What is the SMILES notation for 4-methyl-1-(5-naphthalen-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-amine?
The canonical SMILES for 4-methyl-1-(5-naphthalen-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-amine is CC1(N)CCN(c2nnc(-c3ccc4ccccc4c3)s2)CC1.
What is the InChIKey of 4-methyl-1-(5-naphthalen-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-amine?
The InChIKey is KXHXMWSBOWGBSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4S/c1-18(19)8-10-22(11-9-18)17-21-20-16(23-17)15-7-6-13-4-2-3-5-14(13)12-15/h2-7,12H,8-11,19H2,1H3.
What are the key properties of 4-methyl-1-(5-naphthalen-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-amine?
4-methyl-1-(5-naphthalen-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-amine has a molecular weight of 324.45 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(5-naphthalen-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-amine is sourced from PubChem (CID 177371143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).