4-naphthalen-2-yl-2-(piperidin-1-ylmethyl)-1,3-thiazole

C19H20N2S — CID 84566788

IUPAC4-naphthalen-2-yl-2-(piperidin-1-ylmethyl)-1,3-thiazole
SMILESc1ccc2cc(-c3csc(CN4CCCCC4)n3)ccc2c1
InChIInChI=1S/C19H20N2S/c1-4-10-21(11-5-1)13-19-20-18(14-22-19)17-9-8-15-6-2-3-7-16(15)12-17/h2-3,6-9,12,14H,1,4-5,10-11,13H2
InChIKeyITDTVXFVUICTAN-UHFFFAOYSA-N
MW308.45 g/mol
LogP4.95
Rot. Bonds3

About 4-naphthalen-2-yl-2-(piperidin-1-ylmethyl)-1,3-thiazole

4-naphthalen-2-yl-2-(piperidin-1-ylmethyl)-1,3-thiazole (PubChem CID 84566788) has the molecular formula C19H20N2S and a molecular weight of 308.45 g/mol. Its IUPAC name is 4-naphthalen-2-yl-2-(piperidin-1-ylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-naphthalen-2-yl-2-(piperidin-1-ylmethyl)-1,3-thiazole
PubChem CID84566788
Molecular FormulaC19H20N2S
Molecular Weight308.45 g/mol
Exact Mass308.13
IUPAC Name4-naphthalen-2-yl-2-(piperidin-1-ylmethyl)-1,3-thiazole
SMILESc1ccc2cc(-c3csc(CN4CCCCC4)n3)ccc2c1
InChIInChI=1S/C19H20N2S/c1-4-10-21(11-5-1)13-19-20-18(14-22-19)17-9-8-15-6-2-3-7-16(15)12-17/h2-3,6-9,12,14H,1,4-5,10-11,13H2
InChIKeyITDTVXFVUICTAN-UHFFFAOYSA-N
XLogP4.95
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-2-yl-2-(piperidin-1-ylmethyl)-1,3-thiazole?
The IUPAC name of 4-naphthalen-2-yl-2-(piperidin-1-ylmethyl)-1,3-thiazole (CID 84566788) is 4-naphthalen-2-yl-2-(piperidin-1-ylmethyl)-1,3-thiazole.
What is the SMILES notation for 4-naphthalen-2-yl-2-(piperidin-1-ylmethyl)-1,3-thiazole?
The canonical SMILES for 4-naphthalen-2-yl-2-(piperidin-1-ylmethyl)-1,3-thiazole is c1ccc2cc(-c3csc(CN4CCCCC4)n3)ccc2c1.
What is the InChIKey of 4-naphthalen-2-yl-2-(piperidin-1-ylmethyl)-1,3-thiazole?
The InChIKey is ITDTVXFVUICTAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2S/c1-4-10-21(11-5-1)13-19-20-18(14-22-19)17-9-8-15-6-2-3-7-16(15)12-17/h2-3,6-9,12,14H,1,4-5,10-11,13H2.
What are the key properties of 4-naphthalen-2-yl-2-(piperidin-1-ylmethyl)-1,3-thiazole?
4-naphthalen-2-yl-2-(piperidin-1-ylmethyl)-1,3-thiazole has a molecular weight of 308.45 g/mol, XLogP of 4.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-2-yl-2-(piperidin-1-ylmethyl)-1,3-thiazole is sourced from PubChem (CID 84566788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).