2-(5-methyl-1,3-thiazol-2-yl)-1-naphthalen-2-ylethanamine

C16H16N2S — CID 82066770

IUPAC2-(5-methyl-1,3-thiazol-2-yl)-1-naphthalen-2-ylethanamine
SMILESCc1cnc(CC(N)c2ccc3ccccc3c2)s1
InChIInChI=1S/C16H16N2S/c1-11-10-18-16(19-11)9-15(17)14-7-6-12-4-2-3-5-13(12)8-14/h2-8,10,15H,9,17H2,1H3
InChIKeyBLVNRZYQLVULFF-UHFFFAOYSA-N
MW268.38 g/mol
LogP3.85
Rot. Bonds3

About 2-(5-methyl-1,3-thiazol-2-yl)-1-naphthalen-2-ylethanamine

2-(5-methyl-1,3-thiazol-2-yl)-1-naphthalen-2-ylethanamine (PubChem CID 82066770) has the molecular formula C16H16N2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 2-(5-methyl-1,3-thiazol-2-yl)-1-naphthalen-2-ylethanamine.

Molecular Properties

Compound Name2-(5-methyl-1,3-thiazol-2-yl)-1-naphthalen-2-ylethanamine
PubChem CID82066770
Molecular FormulaC16H16N2S
Molecular Weight268.38 g/mol
Exact Mass268.10
IUPAC Name2-(5-methyl-1,3-thiazol-2-yl)-1-naphthalen-2-ylethanamine
SMILESCc1cnc(CC(N)c2ccc3ccccc3c2)s1
InChIInChI=1S/C16H16N2S/c1-11-10-18-16(19-11)9-15(17)14-7-6-12-4-2-3-5-13(12)8-14/h2-8,10,15H,9,17H2,1H3
InChIKeyBLVNRZYQLVULFF-UHFFFAOYSA-N
XLogP3.85
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1,3-thiazol-2-yl)-1-naphthalen-2-ylethanamine?
The IUPAC name of 2-(5-methyl-1,3-thiazol-2-yl)-1-naphthalen-2-ylethanamine (CID 82066770) is 2-(5-methyl-1,3-thiazol-2-yl)-1-naphthalen-2-ylethanamine.
What is the SMILES notation for 2-(5-methyl-1,3-thiazol-2-yl)-1-naphthalen-2-ylethanamine?
The canonical SMILES for 2-(5-methyl-1,3-thiazol-2-yl)-1-naphthalen-2-ylethanamine is Cc1cnc(CC(N)c2ccc3ccccc3c2)s1.
What is the InChIKey of 2-(5-methyl-1,3-thiazol-2-yl)-1-naphthalen-2-ylethanamine?
The InChIKey is BLVNRZYQLVULFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2S/c1-11-10-18-16(19-11)9-15(17)14-7-6-12-4-2-3-5-13(12)8-14/h2-8,10,15H,9,17H2,1H3.
What are the key properties of 2-(5-methyl-1,3-thiazol-2-yl)-1-naphthalen-2-ylethanamine?
2-(5-methyl-1,3-thiazol-2-yl)-1-naphthalen-2-ylethanamine has a molecular weight of 268.38 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1,3-thiazol-2-yl)-1-naphthalen-2-ylethanamine is sourced from PubChem (CID 82066770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).