1-(2-naphthalen-2-yl-1,3-thiazol-4-yl)propan-2-amine

C16H16N2S — CID 116888207

IUPAC1-(2-naphthalen-2-yl-1,3-thiazol-4-yl)propan-2-amine
SMILESCC(N)Cc1csc(-c2ccc3ccccc3c2)n1
InChIInChI=1S/C16H16N2S/c1-11(17)8-15-10-19-16(18-15)14-7-6-12-4-2-3-5-13(12)9-14/h2-7,9-11H,8,17H2,1H3
InChIKeyXGVWMEIIIOQCIA-UHFFFAOYSA-N
MW268.38 g/mol
LogP3.85
Rot. Bonds3

About 1-(2-naphthalen-2-yl-1,3-thiazol-4-yl)propan-2-amine

1-(2-naphthalen-2-yl-1,3-thiazol-4-yl)propan-2-amine (PubChem CID 116888207) has the molecular formula C16H16N2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 1-(2-naphthalen-2-yl-1,3-thiazol-4-yl)propan-2-amine.

Molecular Properties

Compound Name1-(2-naphthalen-2-yl-1,3-thiazol-4-yl)propan-2-amine
PubChem CID116888207
Molecular FormulaC16H16N2S
Molecular Weight268.38 g/mol
Exact Mass268.10
IUPAC Name1-(2-naphthalen-2-yl-1,3-thiazol-4-yl)propan-2-amine
SMILESCC(N)Cc1csc(-c2ccc3ccccc3c2)n1
InChIInChI=1S/C16H16N2S/c1-11(17)8-15-10-19-16(18-15)14-7-6-12-4-2-3-5-13(12)9-14/h2-7,9-11H,8,17H2,1H3
InChIKeyXGVWMEIIIOQCIA-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 1-(2-naphthalen-2-yl-1,3-thiazol-4-yl)propan-2-amine?
The IUPAC name of 1-(2-naphthalen-2-yl-1,3-thiazol-4-yl)propan-2-amine (CID 116888207) is 1-(2-naphthalen-2-yl-1,3-thiazol-4-yl)propan-2-amine.
What is the SMILES notation for 1-(2-naphthalen-2-yl-1,3-thiazol-4-yl)propan-2-amine?
The canonical SMILES for 1-(2-naphthalen-2-yl-1,3-thiazol-4-yl)propan-2-amine is CC(N)Cc1csc(-c2ccc3ccccc3c2)n1.
What is the InChIKey of 1-(2-naphthalen-2-yl-1,3-thiazol-4-yl)propan-2-amine?
The InChIKey is XGVWMEIIIOQCIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2S/c1-11(17)8-15-10-19-16(18-15)14-7-6-12-4-2-3-5-13(12)9-14/h2-7,9-11H,8,17H2,1H3.
What are the key properties of 1-(2-naphthalen-2-yl-1,3-thiazol-4-yl)propan-2-amine?
1-(2-naphthalen-2-yl-1,3-thiazol-4-yl)propan-2-amine 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 1-(2-naphthalen-2-yl-1,3-thiazol-4-yl)propan-2-amine is sourced from PubChem (CID 116888207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).