1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N,4-dimethyl-3,4-dihydro-2H-naphthalen-1-amine

C18H24N2S — CID 115419513

IUPAC1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N,4-dimethyl-3,4-dihydro-2H-naphthalen-1-amine
SMILESCCc1nc(C2(NC)CCC(C)c3ccccc32)sc1C
InChIInChI=1S/C18H24N2S/c1-5-16-13(3)21-17(20-16)18(19-4)11-10-12(2)14-8-6-7-9-15(14)18/h6-9,12,19H,5,10-11H2,1-4H3
InChIKeyOXGBWIYDBWPZHX-UHFFFAOYSA-N
MW300.47 g/mol
LogP4.37
Rot. Bonds3

About 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N,4-dimethyl-3,4-dihydro-2H-naphthalen-1-amine

1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N,4-dimethyl-3,4-dihydro-2H-naphthalen-1-amine (PubChem CID 115419513) has the molecular formula C18H24N2S and a molecular weight of 300.47 g/mol. Its IUPAC name is 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N,4-dimethyl-3,4-dihydro-2H-naphthalen-1-amine.

Molecular Properties

Compound Name1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N,4-dimethyl-3,4-dihydro-2H-naphthalen-1-amine
PubChem CID115419513
Molecular FormulaC18H24N2S
Molecular Weight300.47 g/mol
Exact Mass300.17
IUPAC Name1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N,4-dimethyl-3,4-dihydro-2H-naphthalen-1-amine
SMILESCCc1nc(C2(NC)CCC(C)c3ccccc32)sc1C
InChIInChI=1S/C18H24N2S/c1-5-16-13(3)21-17(20-16)18(19-4)11-10-12(2)14-8-6-7-9-15(14)18/h6-9,12,19H,5,10-11H2,1-4H3
InChIKeyOXGBWIYDBWPZHX-UHFFFAOYSA-N
XLogP4.37
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N,4-dimethyl-3,4-dihydro-2H-naphthalen-1-amine?
The IUPAC name of 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N,4-dimethyl-3,4-dihydro-2H-naphthalen-1-amine (CID 115419513) is 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N,4-dimethyl-3,4-dihydro-2H-naphthalen-1-amine.
What is the SMILES notation for 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N,4-dimethyl-3,4-dihydro-2H-naphthalen-1-amine?
The canonical SMILES for 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N,4-dimethyl-3,4-dihydro-2H-naphthalen-1-amine is CCc1nc(C2(NC)CCC(C)c3ccccc32)sc1C.
What is the InChIKey of 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N,4-dimethyl-3,4-dihydro-2H-naphthalen-1-amine?
The InChIKey is OXGBWIYDBWPZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2S/c1-5-16-13(3)21-17(20-16)18(19-4)11-10-12(2)14-8-6-7-9-15(14)18/h6-9,12,19H,5,10-11H2,1-4H3.
What are the key properties of 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N,4-dimethyl-3,4-dihydro-2H-naphthalen-1-amine?
1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N,4-dimethyl-3,4-dihydro-2H-naphthalen-1-amine has a molecular weight of 300.47 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N,4-dimethyl-3,4-dihydro-2H-naphthalen-1-amine is sourced from PubChem (CID 115419513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).