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

C16H20N2OS — CID 115510891

IUPAC7-methoxy-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-1H-naphthalen-2-amine
SMILESCNC1(c2nc(C)cs2)CCc2ccc(OC)cc2C1
InChIInChI=1S/C16H20N2OS/c1-11-10-20-15(18-11)16(17-2)7-6-12-4-5-14(19-3)8-13(12)9-16/h4-5,8,10,17H,6-7,9H2,1-3H3
InChIKeyLKRUFSJIRQLRCS-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.06
Rot. Bonds3

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

7-methoxy-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-1H-naphthalen-2-amine (PubChem CID 115510891) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 7-methoxy-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-1H-naphthalen-2-amine.

Molecular Properties

Compound Name7-methoxy-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-1H-naphthalen-2-amine
PubChem CID115510891
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name7-methoxy-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-1H-naphthalen-2-amine
SMILESCNC1(c2nc(C)cs2)CCc2ccc(OC)cc2C1
InChIInChI=1S/C16H20N2OS/c1-11-10-20-15(18-11)16(17-2)7-6-12-4-5-14(19-3)8-13(12)9-16/h4-5,8,10,17H,6-7,9H2,1-3H3
InChIKeyLKRUFSJIRQLRCS-UHFFFAOYSA-N
XLogP3.06
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-1H-naphthalen-2-amine?
The IUPAC name of 7-methoxy-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-1H-naphthalen-2-amine (CID 115510891) is 7-methoxy-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-1H-naphthalen-2-amine.
What is the SMILES notation for 7-methoxy-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-1H-naphthalen-2-amine?
The canonical SMILES for 7-methoxy-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-1H-naphthalen-2-amine is CNC1(c2nc(C)cs2)CCc2ccc(OC)cc2C1.
What is the InChIKey of 7-methoxy-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-1H-naphthalen-2-amine?
The InChIKey is LKRUFSJIRQLRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-11-10-20-15(18-11)16(17-2)7-6-12-4-5-14(19-3)8-13(12)9-16/h4-5,8,10,17H,6-7,9H2,1-3H3.
What are the key properties of 7-methoxy-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-1H-naphthalen-2-amine?
7-methoxy-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-1H-naphthalen-2-amine has a molecular weight of 288.42 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-1H-naphthalen-2-amine is sourced from PubChem (CID 115510891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).