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

C17H22N2S — CID 115419512

IUPAC1-(4,5-dimethyl-1,3-thiazol-2-yl)-N,4-dimethyl-3,4-dihydro-2H-naphthalen-1-amine
SMILESCNC1(c2nc(C)c(C)s2)CCC(C)c2ccccc21
InChIInChI=1S/C17H22N2S/c1-11-9-10-17(18-4,15-8-6-5-7-14(11)15)16-19-12(2)13(3)20-16/h5-8,11,18H,9-10H2,1-4H3
InChIKeyWAPJCXOJNUNRFB-UHFFFAOYSA-N
MW286.44 g/mol
LogP4.12
Rot. Bonds2

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

1-(4,5-dimethyl-1,3-thiazol-2-yl)-N,4-dimethyl-3,4-dihydro-2H-naphthalen-1-amine (PubChem CID 115419512) 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,4-dimethyl-3,4-dihydro-2H-naphthalen-1-amine.

Molecular Properties

Compound Name1-(4,5-dimethyl-1,3-thiazol-2-yl)-N,4-dimethyl-3,4-dihydro-2H-naphthalen-1-amine
PubChem CID115419512
Molecular FormulaC17H22N2S
Molecular Weight286.44 g/mol
Exact Mass286.15
IUPAC Name1-(4,5-dimethyl-1,3-thiazol-2-yl)-N,4-dimethyl-3,4-dihydro-2H-naphthalen-1-amine
SMILESCNC1(c2nc(C)c(C)s2)CCC(C)c2ccccc21
InChIInChI=1S/C17H22N2S/c1-11-9-10-17(18-4,15-8-6-5-7-14(11)15)16-19-12(2)13(3)20-16/h5-8,11,18H,9-10H2,1-4H3
InChIKeyWAPJCXOJNUNRFB-UHFFFAOYSA-N
XLogP4.12
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 54.12
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,4-dimethyl-3,4-dihydro-2H-naphthalen-1-amine?
The IUPAC name of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N,4-dimethyl-3,4-dihydro-2H-naphthalen-1-amine (CID 115419512) is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N,4-dimethyl-3,4-dihydro-2H-naphthalen-1-amine.
What is the SMILES notation for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N,4-dimethyl-3,4-dihydro-2H-naphthalen-1-amine?
The canonical SMILES for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N,4-dimethyl-3,4-dihydro-2H-naphthalen-1-amine is CNC1(c2nc(C)c(C)s2)CCC(C)c2ccccc21.
What is the InChIKey of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N,4-dimethyl-3,4-dihydro-2H-naphthalen-1-amine?
The InChIKey is WAPJCXOJNUNRFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2S/c1-11-9-10-17(18-4,15-8-6-5-7-14(11)15)16-19-12(2)13(3)20-16/h5-8,11,18H,9-10H2,1-4H3.
What are the key properties of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N,4-dimethyl-3,4-dihydro-2H-naphthalen-1-amine?
1-(4,5-dimethyl-1,3-thiazol-2-yl)-N,4-dimethyl-3,4-dihydro-2H-naphthalen-1-amine has a molecular weight of 286.44 g/mol, XLogP of 4.12, 2 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,4-dimethyl-3,4-dihydro-2H-naphthalen-1-amine is sourced from PubChem (CID 115419512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).