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

C17H18N2S — CID 103097106

IUPAC2-methyl-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)propan-1-amine
SMILESCC(C)(CN)c1nc(-c2cccc3ccccc23)cs1
InChIInChI=1S/C17H18N2S/c1-17(2,11-18)16-19-15(10-20-16)14-9-5-7-12-6-3-4-8-13(12)14/h3-10H,11,18H2,1-2H3
InChIKeyGVWYIIFUCUODTG-UHFFFAOYSA-N
MW282.41 g/mol
LogP4.20
Rot. Bonds3

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

2-methyl-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)propan-1-amine (PubChem CID 103097106) has the molecular formula C17H18N2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 2-methyl-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)propan-1-amine
PubChem CID103097106
Molecular FormulaC17H18N2S
Molecular Weight282.41 g/mol
Exact Mass282.12
IUPAC Name2-methyl-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)propan-1-amine
SMILESCC(C)(CN)c1nc(-c2cccc3ccccc23)cs1
InChIInChI=1S/C17H18N2S/c1-17(2,11-18)16-19-15(10-20-16)14-9-5-7-12-6-3-4-8-13(12)14/h3-10H,11,18H2,1-2H3
InChIKeyGVWYIIFUCUODTG-UHFFFAOYSA-N
XLogP4.20
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 ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)butan-2-amine
CID 61337854
2-methyl-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)propanenitrile
CID 103097257
2-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]propan-2-amine
CID 61338037
3-methyl-3-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine
CID 116965174
2-[4-(2-bromophenyl)-1,3-thiazol-2-yl]-N,2-dimethylpropan-1-amine
CID 116865454
2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)acetic acid
CID 5228414
2-[2-(2-methoxypropan-2-yl)-1,3-thiazol-4-yl]aniline
CID 79197472
N-(2-methoxyethyl)-4-naphthalen-1-yl-1,3-thiazol-2-amine
CID 8962162
2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)acetonitrile
CID 24708724
2-[4-(2-methylphenyl)-1,3-thiazol-2-yl]propan-2-ol
CID 116966687
3-methyl-3-(4-phenyl-1,3-thiazol-2-yl)butanoic acid
CID 116965761
2-[4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine
CID 114080610

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)propan-1-amine?
The IUPAC name of 2-methyl-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)propan-1-amine (CID 103097106) is 2-methyl-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)propan-1-amine.
What is the SMILES notation for 2-methyl-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)propan-1-amine?
The canonical SMILES for 2-methyl-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)propan-1-amine is CC(C)(CN)c1nc(-c2cccc3ccccc23)cs1.
What is the InChIKey of 2-methyl-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)propan-1-amine?
The InChIKey is GVWYIIFUCUODTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2S/c1-17(2,11-18)16-19-15(10-20-16)14-9-5-7-12-6-3-4-8-13(12)14/h3-10H,11,18H2,1-2H3.
What are the key properties of 2-methyl-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)propan-1-amine?
2-methyl-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)propan-1-amine has a molecular weight of 282.41 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)propan-1-amine is sourced from PubChem (CID 103097106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).