2-(4-methyl-2-naphthalen-2-yl-1,3-thiazol-5-yl)ethanamine

C16H16N2S — CID 79154712

IUPAC2-(4-methyl-2-naphthalen-2-yl-1,3-thiazol-5-yl)ethanamine
SMILESCc1nc(-c2ccc3ccccc3c2)sc1CCN
InChIInChI=1S/C16H16N2S/c1-11-15(8-9-17)19-16(18-11)14-7-6-12-4-2-3-5-13(12)10-14/h2-7,10H,8-9,17H2,1H3
InChIKeyZBRZPGSHLDKYMF-UHFFFAOYSA-N
MW268.38 g/mol
LogP3.77
Rot. Bonds3

About 2-(4-methyl-2-naphthalen-2-yl-1,3-thiazol-5-yl)ethanamine

2-(4-methyl-2-naphthalen-2-yl-1,3-thiazol-5-yl)ethanamine (PubChem CID 79154712) has the molecular formula C16H16N2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 2-(4-methyl-2-naphthalen-2-yl-1,3-thiazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(4-methyl-2-naphthalen-2-yl-1,3-thiazol-5-yl)ethanamine
PubChem CID79154712
Molecular FormulaC16H16N2S
Molecular Weight268.38 g/mol
Exact Mass268.10
IUPAC Name2-(4-methyl-2-naphthalen-2-yl-1,3-thiazol-5-yl)ethanamine
SMILESCc1nc(-c2ccc3ccccc3c2)sc1CCN
InChIInChI=1S/C16H16N2S/c1-11-15(8-9-17)19-16(18-11)14-7-6-12-4-2-3-5-13(12)10-14/h2-7,10H,8-9,17H2,1H3
InChIKeyZBRZPGSHLDKYMF-UHFFFAOYSA-N
XLogP3.77
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 ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-naphthalen-2-yl-1,3-thiazol-5-yl)ethanamine?
The IUPAC name of 2-(4-methyl-2-naphthalen-2-yl-1,3-thiazol-5-yl)ethanamine (CID 79154712) is 2-(4-methyl-2-naphthalen-2-yl-1,3-thiazol-5-yl)ethanamine.
What is the SMILES notation for 2-(4-methyl-2-naphthalen-2-yl-1,3-thiazol-5-yl)ethanamine?
The canonical SMILES for 2-(4-methyl-2-naphthalen-2-yl-1,3-thiazol-5-yl)ethanamine is Cc1nc(-c2ccc3ccccc3c2)sc1CCN.
What is the InChIKey of 2-(4-methyl-2-naphthalen-2-yl-1,3-thiazol-5-yl)ethanamine?
The InChIKey is ZBRZPGSHLDKYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2S/c1-11-15(8-9-17)19-16(18-11)14-7-6-12-4-2-3-5-13(12)10-14/h2-7,10H,8-9,17H2,1H3.
What are the key properties of 2-(4-methyl-2-naphthalen-2-yl-1,3-thiazol-5-yl)ethanamine?
2-(4-methyl-2-naphthalen-2-yl-1,3-thiazol-5-yl)ethanamine has a molecular weight of 268.38 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-naphthalen-2-yl-1,3-thiazol-5-yl)ethanamine is sourced from PubChem (CID 79154712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).