6-methoxy-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine

C17H22N2OS — CID 63239039

IUPAC6-methoxy-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1ccc2c(c1)CCCC2NCCc1nc(C)cs1
InChIInChI=1S/C17H22N2OS/c1-12-11-21-17(19-12)8-9-18-16-5-3-4-13-10-14(20-2)6-7-15(13)16/h6-7,10-11,16,18H,3-5,8-9H2,1-2H3
InChIKeyLOXCIAVISVNUDK-UHFFFAOYSA-N
MW302.44 g/mol
LogP3.67
Rot. Bonds5

About 6-methoxy-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine

6-methoxy-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 63239039) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is 6-methoxy-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name6-methoxy-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID63239039
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Name6-methoxy-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1ccc2c(c1)CCCC2NCCc1nc(C)cs1
InChIInChI=1S/C17H22N2OS/c1-12-11-21-17(19-12)8-9-18-16-5-3-4-13-10-14(20-2)6-7-15(13)16/h6-7,10-11,16,18H,3-5,8-9H2,1-2H3
InChIKeyLOXCIAVISVNUDK-UHFFFAOYSA-N
XLogP3.67
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 6-methoxy-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine (CID 63239039) is 6-methoxy-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 6-methoxy-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 6-methoxy-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine is COc1ccc2c(c1)CCCC2NCCc1nc(C)cs1.
What is the InChIKey of 6-methoxy-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is LOXCIAVISVNUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-12-11-21-17(19-12)8-9-18-16-5-3-4-13-10-14(20-2)6-7-15(13)16/h6-7,10-11,16,18H,3-5,8-9H2,1-2H3.
What are the key properties of 6-methoxy-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
6-methoxy-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 302.44 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 63239039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).