1-[5-(6-methoxynaphthalen-2-yl)-1,3,4-thiadiazol-2-yl]-4-methylpiperidin-4-amine

C19H22N4OS — CID 177371145

IUPAC1-[5-(6-methoxynaphthalen-2-yl)-1,3,4-thiadiazol-2-yl]-4-methylpiperidin-4-amine
SMILESCOc1ccc2cc(-c3nnc(N4CCC(C)(N)CC4)s3)ccc2c1
InChIInChI=1S/C19H22N4OS/c1-19(20)7-9-23(10-8-19)18-22-21-17(25-18)15-4-3-14-12-16(24-2)6-5-13(14)11-15/h3-6,11-12H,7-10,20H2,1-2H3
InChIKeyXHNVTCZAGKGVEE-UHFFFAOYSA-N
MW354.48 g/mol
LogP3.68
Rot. Bonds3

About 1-[5-(6-methoxynaphthalen-2-yl)-1,3,4-thiadiazol-2-yl]-4-methylpiperidin-4-amine

1-[5-(6-methoxynaphthalen-2-yl)-1,3,4-thiadiazol-2-yl]-4-methylpiperidin-4-amine (PubChem CID 177371145) has the molecular formula C19H22N4OS and a molecular weight of 354.48 g/mol. Its IUPAC name is 1-[5-(6-methoxynaphthalen-2-yl)-1,3,4-thiadiazol-2-yl]-4-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-[5-(6-methoxynaphthalen-2-yl)-1,3,4-thiadiazol-2-yl]-4-methylpiperidin-4-amine
PubChem CID177371145
Molecular FormulaC19H22N4OS
Molecular Weight354.48 g/mol
Exact Mass354.15
IUPAC Name1-[5-(6-methoxynaphthalen-2-yl)-1,3,4-thiadiazol-2-yl]-4-methylpiperidin-4-amine
SMILESCOc1ccc2cc(-c3nnc(N4CCC(C)(N)CC4)s3)ccc2c1
InChIInChI=1S/C19H22N4OS/c1-19(20)7-9-23(10-8-19)18-22-21-17(25-18)15-4-3-14-12-16(24-2)6-5-13(14)11-15/h3-6,11-12H,7-10,20H2,1-2H3
InChIKeyXHNVTCZAGKGVEE-UHFFFAOYSA-N
XLogP3.68
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(6-methoxynaphthalen-2-yl)-1,3,4-thiadiazol-2-yl]-4-methylpiperidin-4-amine?
The IUPAC name of 1-[5-(6-methoxynaphthalen-2-yl)-1,3,4-thiadiazol-2-yl]-4-methylpiperidin-4-amine (CID 177371145) is 1-[5-(6-methoxynaphthalen-2-yl)-1,3,4-thiadiazol-2-yl]-4-methylpiperidin-4-amine.
What is the SMILES notation for 1-[5-(6-methoxynaphthalen-2-yl)-1,3,4-thiadiazol-2-yl]-4-methylpiperidin-4-amine?
The canonical SMILES for 1-[5-(6-methoxynaphthalen-2-yl)-1,3,4-thiadiazol-2-yl]-4-methylpiperidin-4-amine is COc1ccc2cc(-c3nnc(N4CCC(C)(N)CC4)s3)ccc2c1.
What is the InChIKey of 1-[5-(6-methoxynaphthalen-2-yl)-1,3,4-thiadiazol-2-yl]-4-methylpiperidin-4-amine?
The InChIKey is XHNVTCZAGKGVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4OS/c1-19(20)7-9-23(10-8-19)18-22-21-17(25-18)15-4-3-14-12-16(24-2)6-5-13(14)11-15/h3-6,11-12H,7-10,20H2,1-2H3.
What are the key properties of 1-[5-(6-methoxynaphthalen-2-yl)-1,3,4-thiadiazol-2-yl]-4-methylpiperidin-4-amine?
1-[5-(6-methoxynaphthalen-2-yl)-1,3,4-thiadiazol-2-yl]-4-methylpiperidin-4-amine has a molecular weight of 354.48 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(6-methoxynaphthalen-2-yl)-1,3,4-thiadiazol-2-yl]-4-methylpiperidin-4-amine is sourced from PubChem (CID 177371145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).