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

C17H18N2S — CID 61338017

IUPAC1-(4-naphthalen-2-yl-1,3-thiazol-2-yl)butan-1-amine
SMILESCCCC(N)c1nc(-c2ccc3ccccc3c2)cs1
InChIInChI=1S/C17H18N2S/c1-2-5-15(18)17-19-16(11-20-17)14-9-8-12-6-3-4-7-13(12)10-14/h3-4,6-11,15H,2,5,18H2,1H3
InChIKeyDXLDHPOOOFCLHO-UHFFFAOYSA-N
MW282.41 g/mol
LogP4.76
Rot. Bonds4

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

1-(4-naphthalen-2-yl-1,3-thiazol-2-yl)butan-1-amine (PubChem CID 61338017) has the molecular formula C17H18N2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 1-(4-naphthalen-2-yl-1,3-thiazol-2-yl)butan-1-amine.

Molecular Properties

Compound Name1-(4-naphthalen-2-yl-1,3-thiazol-2-yl)butan-1-amine
PubChem CID61338017
Molecular FormulaC17H18N2S
Molecular Weight282.41 g/mol
Exact Mass282.12
IUPAC Name1-(4-naphthalen-2-yl-1,3-thiazol-2-yl)butan-1-amine
SMILESCCCC(N)c1nc(-c2ccc3ccccc3c2)cs1
InChIInChI=1S/C17H18N2S/c1-2-5-15(18)17-19-16(11-20-17)14-9-8-12-6-3-4-7-13(12)10-14/h3-4,6-11,15H,2,5,18H2,1H3
InChIKeyDXLDHPOOOFCLHO-UHFFFAOYSA-N
XLogP4.76
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-naphthalen-2-yl-1,3-thiazol-2-yl)butan-1-amine?
The IUPAC name of 1-(4-naphthalen-2-yl-1,3-thiazol-2-yl)butan-1-amine (CID 61338017) is 1-(4-naphthalen-2-yl-1,3-thiazol-2-yl)butan-1-amine.
What is the SMILES notation for 1-(4-naphthalen-2-yl-1,3-thiazol-2-yl)butan-1-amine?
The canonical SMILES for 1-(4-naphthalen-2-yl-1,3-thiazol-2-yl)butan-1-amine is CCCC(N)c1nc(-c2ccc3ccccc3c2)cs1.
What is the InChIKey of 1-(4-naphthalen-2-yl-1,3-thiazol-2-yl)butan-1-amine?
The InChIKey is DXLDHPOOOFCLHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2S/c1-2-5-15(18)17-19-16(11-20-17)14-9-8-12-6-3-4-7-13(12)10-14/h3-4,6-11,15H,2,5,18H2,1H3.
What are the key properties of 1-(4-naphthalen-2-yl-1,3-thiazol-2-yl)butan-1-amine?
1-(4-naphthalen-2-yl-1,3-thiazol-2-yl)butan-1-amine has a molecular weight of 282.41 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-naphthalen-2-yl-1,3-thiazol-2-yl)butan-1-amine is sourced from PubChem (CID 61338017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).