N-(1-naphthalen-2-ylethyl)-1,3-thiazol-2-amine

C15H14N2S — CID 78910611

IUPACN-(1-naphthalen-2-ylethyl)-1,3-thiazol-2-amine
SMILESCC(Nc1nccs1)c1ccc2ccccc2c1
InChIInChI=1S/C15H14N2S/c1-11(17-15-16-8-9-18-15)13-7-6-12-4-2-3-5-14(12)10-13/h2-11H,1H3,(H,16,17)
InChIKeyOWNXMSFWGUTVSN-UHFFFAOYSA-N
MW254.36 g/mol
LogP4.47
Rot. Bonds3

About N-(1-naphthalen-2-ylethyl)-1,3-thiazol-2-amine

N-(1-naphthalen-2-ylethyl)-1,3-thiazol-2-amine (PubChem CID 78910611) has the molecular formula C15H14N2S and a molecular weight of 254.36 g/mol. Its IUPAC name is N-(1-naphthalen-2-ylethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(1-naphthalen-2-ylethyl)-1,3-thiazol-2-amine
PubChem CID78910611
Molecular FormulaC15H14N2S
Molecular Weight254.36 g/mol
Exact Mass254.09
IUPAC NameN-(1-naphthalen-2-ylethyl)-1,3-thiazol-2-amine
SMILESCC(Nc1nccs1)c1ccc2ccccc2c1
InChIInChI=1S/C15H14N2S/c1-11(17-15-16-8-9-18-15)13-7-6-12-4-2-3-5-14(12)10-13/h2-11H,1H3,(H,16,17)
InChIKeyOWNXMSFWGUTVSN-UHFFFAOYSA-N
XLogP4.47
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-naphthalen-2-ylethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-(1-naphthalen-2-ylethyl)-1,3-thiazol-2-amine (CID 78910611) is N-(1-naphthalen-2-ylethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(1-naphthalen-2-ylethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(1-naphthalen-2-ylethyl)-1,3-thiazol-2-amine is CC(Nc1nccs1)c1ccc2ccccc2c1.
What is the InChIKey of N-(1-naphthalen-2-ylethyl)-1,3-thiazol-2-amine?
The InChIKey is OWNXMSFWGUTVSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2S/c1-11(17-15-16-8-9-18-15)13-7-6-12-4-2-3-5-14(12)10-13/h2-11H,1H3,(H,16,17).
What are the key properties of N-(1-naphthalen-2-ylethyl)-1,3-thiazol-2-amine?
N-(1-naphthalen-2-ylethyl)-1,3-thiazol-2-amine has a molecular weight of 254.36 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-naphthalen-2-ylethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 78910611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).