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

C15H18N2S — CID 78982946

IUPACN-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-1,3-thiazol-2-amine
SMILESCC1(C)CCC(Nc2nccs2)c2ccccc21
InChIInChI=1S/C15H18N2S/c1-15(2)8-7-13(17-14-16-9-10-18-14)11-5-3-4-6-12(11)15/h3-6,9-10,13H,7-8H2,1-2H3,(H,16,17)
InChIKeyZSGDBDCZVQNFII-UHFFFAOYSA-N
MW258.39 g/mol
LogP4.37
Rot. Bonds2

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

N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-1,3-thiazol-2-amine (PubChem CID 78982946) has the molecular formula C15H18N2S and a molecular weight of 258.39 g/mol. Its IUPAC name is N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-1,3-thiazol-2-amine
PubChem CID78982946
Molecular FormulaC15H18N2S
Molecular Weight258.39 g/mol
Exact Mass258.12
IUPAC NameN-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-1,3-thiazol-2-amine
SMILESCC1(C)CCC(Nc2nccs2)c2ccccc21
InChIInChI=1S/C15H18N2S/c1-15(2)8-7-13(17-14-16-9-10-18-14)11-5-3-4-6-12(11)15/h3-6,9-10,13H,7-8H2,1-2H3,(H,16,17)
InChIKeyZSGDBDCZVQNFII-UHFFFAOYSA-N
XLogP4.37
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-1,3-thiazol-2-amine?
The IUPAC name of N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-1,3-thiazol-2-amine (CID 78982946) is N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-1,3-thiazol-2-amine is CC1(C)CCC(Nc2nccs2)c2ccccc21.
What is the InChIKey of N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-1,3-thiazol-2-amine?
The InChIKey is ZSGDBDCZVQNFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2S/c1-15(2)8-7-13(17-14-16-9-10-18-14)11-5-3-4-6-12(11)15/h3-6,9-10,13H,7-8H2,1-2H3,(H,16,17).
What are the key properties of N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-1,3-thiazol-2-amine?
N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-1,3-thiazol-2-amine has a molecular weight of 258.39 g/mol, XLogP of 4.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 78982946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).