2-(4,5-dimethyl-1,3-thiazol-2-yl)-7-methoxy-3,4-dihydro-1H-naphthalen-2-amine

C16H20N2OS — CID 115510886

IUPAC2-(4,5-dimethyl-1,3-thiazol-2-yl)-7-methoxy-3,4-dihydro-1H-naphthalen-2-amine
SMILESCOc1ccc2c(c1)CC(N)(c1nc(C)c(C)s1)CC2
InChIInChI=1S/C16H20N2OS/c1-10-11(2)20-15(18-10)16(17)7-6-12-4-5-14(19-3)8-13(12)9-16/h4-5,8H,6-7,9,17H2,1-3H3
InChIKeyWCFMEHOEXDLRKI-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.11
Rot. Bonds2

About 2-(4,5-dimethyl-1,3-thiazol-2-yl)-7-methoxy-3,4-dihydro-1H-naphthalen-2-amine

2-(4,5-dimethyl-1,3-thiazol-2-yl)-7-methoxy-3,4-dihydro-1H-naphthalen-2-amine (PubChem CID 115510886) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 2-(4,5-dimethyl-1,3-thiazol-2-yl)-7-methoxy-3,4-dihydro-1H-naphthalen-2-amine.

Molecular Properties

Compound Name2-(4,5-dimethyl-1,3-thiazol-2-yl)-7-methoxy-3,4-dihydro-1H-naphthalen-2-amine
PubChem CID115510886
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name2-(4,5-dimethyl-1,3-thiazol-2-yl)-7-methoxy-3,4-dihydro-1H-naphthalen-2-amine
SMILESCOc1ccc2c(c1)CC(N)(c1nc(C)c(C)s1)CC2
InChIInChI=1S/C16H20N2OS/c1-10-11(2)20-15(18-10)16(17)7-6-12-4-5-14(19-3)8-13(12)9-16/h4-5,8H,6-7,9,17H2,1-3H3
InChIKeyWCFMEHOEXDLRKI-UHFFFAOYSA-N
XLogP3.11
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-7-methoxy-3,4-dihydro-1H-naphthalen-2-amine?
The IUPAC name of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-7-methoxy-3,4-dihydro-1H-naphthalen-2-amine (CID 115510886) is 2-(4,5-dimethyl-1,3-thiazol-2-yl)-7-methoxy-3,4-dihydro-1H-naphthalen-2-amine.
What is the SMILES notation for 2-(4,5-dimethyl-1,3-thiazol-2-yl)-7-methoxy-3,4-dihydro-1H-naphthalen-2-amine?
The canonical SMILES for 2-(4,5-dimethyl-1,3-thiazol-2-yl)-7-methoxy-3,4-dihydro-1H-naphthalen-2-amine is COc1ccc2c(c1)CC(N)(c1nc(C)c(C)s1)CC2.
What is the InChIKey of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-7-methoxy-3,4-dihydro-1H-naphthalen-2-amine?
The InChIKey is WCFMEHOEXDLRKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-10-11(2)20-15(18-10)16(17)7-6-12-4-5-14(19-3)8-13(12)9-16/h4-5,8H,6-7,9,17H2,1-3H3.
What are the key properties of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-7-methoxy-3,4-dihydro-1H-naphthalen-2-amine?
2-(4,5-dimethyl-1,3-thiazol-2-yl)-7-methoxy-3,4-dihydro-1H-naphthalen-2-amine has a molecular weight of 288.42 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethyl-1,3-thiazol-2-yl)-7-methoxy-3,4-dihydro-1H-naphthalen-2-amine is sourced from PubChem (CID 115510886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).