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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Related Compounds

6-bromo-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-1H-naphthalen-2-amine
CID 63630641
N-ethyl-7-methoxy-1-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-naphthalen-1-amine
CID 79235672
N-cyclopropyl-6-methoxy-1-(4-methyl-1,3-thiazol-2-yl)-2,3-dihydroinden-1-amine
CID 79371774
2-[4-(4-methoxyphenyl)oxan-4-yl]-4-methyl-1,3-thiazole
CID 170068372
7-methoxy-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,4-dihydro-1H-naphthalen-2-ol
CID 115511023
2-(4,5-dimethyl-1,3-thiazol-2-yl)-7-methoxy-3,4-dihydro-1H-naphthalen-2-amine
CID 115510886
6-methoxyspiro[2,4-dihydro-1H-naphthalene-3,3'-azetidine]
CID 84620045
7-methoxy-2-methyl-3,4-dihydro-1H-naphthalen-2-amine
CID 84719792
7-methoxy-2-(methylaminomethyl)-3,4-dihydro-1H-naphthalen-2-ol
CID 115511135
N-methyl-1-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64754919
7-methoxy-2-(6-methyl-3-pyridinyl)-3,4-dihydro-1H-naphthalen-2-ol
CID 115510965
7-methoxy-N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79237018

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).