4,4-dimethyl-N-(1,3-thiazol-4-ylmethyl)-2,3-dihydro-1H-naphthalen-1-amine

C16H20N2S — CID 63378715

IUPAC4,4-dimethyl-N-(1,3-thiazol-4-ylmethyl)-2,3-dihydro-1H-naphthalen-1-amine
SMILESCC1(C)CCC(NCc2cscn2)c2ccccc21
InChIInChI=1S/C16H20N2S/c1-16(2)8-7-15(13-5-3-4-6-14(13)16)17-9-12-10-19-11-18-12/h3-6,10-11,15,17H,7-9H2,1-2H3
InChIKeyOVTZKBQOLYXFPI-UHFFFAOYSA-N
MW272.42 g/mol
LogP4.05
Rot. Bonds3

About 4,4-dimethyl-N-(1,3-thiazol-4-ylmethyl)-2,3-dihydro-1H-naphthalen-1-amine

4,4-dimethyl-N-(1,3-thiazol-4-ylmethyl)-2,3-dihydro-1H-naphthalen-1-amine (PubChem CID 63378715) has the molecular formula C16H20N2S and a molecular weight of 272.42 g/mol. Its IUPAC name is 4,4-dimethyl-N-(1,3-thiazol-4-ylmethyl)-2,3-dihydro-1H-naphthalen-1-amine.

Molecular Properties

Compound Name4,4-dimethyl-N-(1,3-thiazol-4-ylmethyl)-2,3-dihydro-1H-naphthalen-1-amine
PubChem CID63378715
Molecular FormulaC16H20N2S
Molecular Weight272.42 g/mol
Exact Mass272.13
IUPAC Name4,4-dimethyl-N-(1,3-thiazol-4-ylmethyl)-2,3-dihydro-1H-naphthalen-1-amine
SMILESCC1(C)CCC(NCc2cscn2)c2ccccc21
InChIInChI=1S/C16H20N2S/c1-16(2)8-7-15(13-5-3-4-6-14(13)16)17-9-12-10-19-11-18-12/h3-6,10-11,15,17H,7-9H2,1-2H3
InChIKeyOVTZKBQOLYXFPI-UHFFFAOYSA-N
XLogP4.05
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-N-(1,3-thiazol-4-ylmethyl)-2,3-dihydro-1H-naphthalen-1-amine?
The IUPAC name of 4,4-dimethyl-N-(1,3-thiazol-4-ylmethyl)-2,3-dihydro-1H-naphthalen-1-amine (CID 63378715) is 4,4-dimethyl-N-(1,3-thiazol-4-ylmethyl)-2,3-dihydro-1H-naphthalen-1-amine.
What is the SMILES notation for 4,4-dimethyl-N-(1,3-thiazol-4-ylmethyl)-2,3-dihydro-1H-naphthalen-1-amine?
The canonical SMILES for 4,4-dimethyl-N-(1,3-thiazol-4-ylmethyl)-2,3-dihydro-1H-naphthalen-1-amine is CC1(C)CCC(NCc2cscn2)c2ccccc21.
What is the InChIKey of 4,4-dimethyl-N-(1,3-thiazol-4-ylmethyl)-2,3-dihydro-1H-naphthalen-1-amine?
The InChIKey is OVTZKBQOLYXFPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2S/c1-16(2)8-7-15(13-5-3-4-6-14(13)16)17-9-12-10-19-11-18-12/h3-6,10-11,15,17H,7-9H2,1-2H3.
What are the key properties of 4,4-dimethyl-N-(1,3-thiazol-4-ylmethyl)-2,3-dihydro-1H-naphthalen-1-amine?
4,4-dimethyl-N-(1,3-thiazol-4-ylmethyl)-2,3-dihydro-1H-naphthalen-1-amine has a molecular weight of 272.42 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-N-(1,3-thiazol-4-ylmethyl)-2,3-dihydro-1H-naphthalen-1-amine is sourced from PubChem (CID 63378715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).