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

C18H20N4S — CID 177371144

IUPAC4-methyl-1-(5-naphthalen-1-yl-1,3,4-thiadiazol-2-yl)piperidin-4-amine
SMILESCC1(N)CCN(c2nnc(-c3cccc4ccccc34)s2)CC1
InChIInChI=1S/C18H20N4S/c1-18(19)9-11-22(12-10-18)17-21-20-16(23-17)15-8-4-6-13-5-2-3-7-14(13)15/h2-8H,9-12,19H2,1H3
InChIKeyRHWNTVKJLQEJBF-UHFFFAOYSA-N
MW324.45 g/mol
LogP3.68
Rot. Bonds2

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

4-methyl-1-(5-naphthalen-1-yl-1,3,4-thiadiazol-2-yl)piperidin-4-amine (PubChem CID 177371144) has the molecular formula C18H20N4S and a molecular weight of 324.45 g/mol. Its IUPAC name is 4-methyl-1-(5-naphthalen-1-yl-1,3,4-thiadiazol-2-yl)piperidin-4-amine.

Molecular Properties

Compound Name4-methyl-1-(5-naphthalen-1-yl-1,3,4-thiadiazol-2-yl)piperidin-4-amine
PubChem CID177371144
Molecular FormulaC18H20N4S
Molecular Weight324.45 g/mol
Exact Mass324.14
IUPAC Name4-methyl-1-(5-naphthalen-1-yl-1,3,4-thiadiazol-2-yl)piperidin-4-amine
SMILESCC1(N)CCN(c2nnc(-c3cccc4ccccc34)s2)CC1
InChIInChI=1S/C18H20N4S/c1-18(19)9-11-22(12-10-18)17-21-20-16(23-17)15-8-4-6-13-5-2-3-7-14(13)15/h2-8H,9-12,19H2,1H3
InChIKeyRHWNTVKJLQEJBF-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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(5-naphthalen-1-yl-1,3,4-thiadiazol-2-yl)piperidin-4-amine?
The IUPAC name of 4-methyl-1-(5-naphthalen-1-yl-1,3,4-thiadiazol-2-yl)piperidin-4-amine (CID 177371144) is 4-methyl-1-(5-naphthalen-1-yl-1,3,4-thiadiazol-2-yl)piperidin-4-amine.
What is the SMILES notation for 4-methyl-1-(5-naphthalen-1-yl-1,3,4-thiadiazol-2-yl)piperidin-4-amine?
The canonical SMILES for 4-methyl-1-(5-naphthalen-1-yl-1,3,4-thiadiazol-2-yl)piperidin-4-amine is CC1(N)CCN(c2nnc(-c3cccc4ccccc34)s2)CC1.
What is the InChIKey of 4-methyl-1-(5-naphthalen-1-yl-1,3,4-thiadiazol-2-yl)piperidin-4-amine?
The InChIKey is RHWNTVKJLQEJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4S/c1-18(19)9-11-22(12-10-18)17-21-20-16(23-17)15-8-4-6-13-5-2-3-7-14(13)15/h2-8H,9-12,19H2,1H3.
What are the key properties of 4-methyl-1-(5-naphthalen-1-yl-1,3,4-thiadiazol-2-yl)piperidin-4-amine?
4-methyl-1-(5-naphthalen-1-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-1-yl-1,3,4-thiadiazol-2-yl)piperidin-4-amine is sourced from PubChem (CID 177371144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).