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

C17H22N2S — CID 61331788

IUPAC1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-3,4-dihydro-2H-naphthalen-1-amine
SMILESCCNC1(c2nc(C)c(C)s2)CCCc2ccccc21
InChIInChI=1S/C17H22N2S/c1-4-18-17(16-19-12(2)13(3)20-16)11-7-9-14-8-5-6-10-15(14)17/h5-6,8,10,18H,4,7,9,11H2,1-3H3
InChIKeyQYTLTONWVBAFSO-UHFFFAOYSA-N
MW286.44 g/mol
LogP3.95
Rot. Bonds3

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

1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-3,4-dihydro-2H-naphthalen-1-amine (PubChem CID 61331788) has the molecular formula C17H22N2S and a molecular weight of 286.44 g/mol. Its IUPAC name is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-3,4-dihydro-2H-naphthalen-1-amine.

Molecular Properties

Compound Name1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-3,4-dihydro-2H-naphthalen-1-amine
PubChem CID61331788
Molecular FormulaC17H22N2S
Molecular Weight286.44 g/mol
Exact Mass286.15
IUPAC Name1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-3,4-dihydro-2H-naphthalen-1-amine
SMILESCCNC1(c2nc(C)c(C)s2)CCCc2ccccc21
InChIInChI=1S/C17H22N2S/c1-4-18-17(16-19-12(2)13(3)20-16)11-7-9-14-8-5-6-10-15(14)17/h5-6,8,10,18H,4,7,9,11H2,1-3H3
InChIKeyQYTLTONWVBAFSO-UHFFFAOYSA-N
XLogP3.95
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-3,4-dihydro-2H-naphthalen-1-amine?
The IUPAC name of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-3,4-dihydro-2H-naphthalen-1-amine (CID 61331788) is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-3,4-dihydro-2H-naphthalen-1-amine.
What is the SMILES notation for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-3,4-dihydro-2H-naphthalen-1-amine?
The canonical SMILES for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-3,4-dihydro-2H-naphthalen-1-amine is CCNC1(c2nc(C)c(C)s2)CCCc2ccccc21.
What is the InChIKey of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-3,4-dihydro-2H-naphthalen-1-amine?
The InChIKey is QYTLTONWVBAFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2S/c1-4-18-17(16-19-12(2)13(3)20-16)11-7-9-14-8-5-6-10-15(14)17/h5-6,8,10,18H,4,7,9,11H2,1-3H3.
What are the key properties of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-3,4-dihydro-2H-naphthalen-1-amine?
1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-3,4-dihydro-2H-naphthalen-1-amine has a molecular weight of 286.44 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-3,4-dihydro-2H-naphthalen-1-amine is sourced from PubChem (CID 61331788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).