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

C17H18N2S — CID 61337854

IUPAC2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)butan-2-amine
SMILESCCC(C)(N)c1nc(-c2cccc3ccccc23)cs1
InChIInChI=1S/C17H18N2S/c1-3-17(2,18)16-19-15(11-20-16)14-10-6-8-12-7-4-5-9-13(12)14/h4-11H,3,18H2,1-2H3
InChIKeySZTYSHQDYYLTGM-UHFFFAOYSA-N
MW282.41 g/mol
LogP4.55
Rot. Bonds3

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

2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)butan-2-amine (PubChem CID 61337854) has the molecular formula C17H18N2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)butan-2-amine.

Molecular Properties

Compound Name2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)butan-2-amine
PubChem CID61337854
Molecular FormulaC17H18N2S
Molecular Weight282.41 g/mol
Exact Mass282.12
IUPAC Name2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)butan-2-amine
SMILESCCC(C)(N)c1nc(-c2cccc3ccccc23)cs1
InChIInChI=1S/C17H18N2S/c1-3-17(2,18)16-19-15(11-20-16)14-10-6-8-12-7-4-5-9-13(12)14/h4-11H,3,18H2,1-2H3
InChIKeySZTYSHQDYYLTGM-UHFFFAOYSA-N
XLogP4.55
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)butan-2-amine?
The IUPAC name of 2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)butan-2-amine (CID 61337854) is 2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)butan-2-amine.
What is the SMILES notation for 2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)butan-2-amine?
The canonical SMILES for 2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)butan-2-amine is CCC(C)(N)c1nc(-c2cccc3ccccc23)cs1.
What is the InChIKey of 2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)butan-2-amine?
The InChIKey is SZTYSHQDYYLTGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2S/c1-3-17(2,18)16-19-15(11-20-16)14-10-6-8-12-7-4-5-9-13(12)14/h4-11H,3,18H2,1-2H3.
What are the key properties of 2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)butan-2-amine?
2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)butan-2-amine has a molecular weight of 282.41 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)butan-2-amine is sourced from PubChem (CID 61337854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).