2-[6-methoxy-3-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1H-inden-2-yl]-N,N-dimethylethanamine

C19H24N2OS — CID 46865978

IUPAC2-[6-methoxy-3-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1H-inden-2-yl]-N,N-dimethylethanamine
SMILESCOc1ccc2c(c1)CC(CCN(C)C)=C2[C@@H](C)c1nccs1
InChIInChI=1S/C19H24N2OS/c1-13(19-20-8-10-23-19)18-14(7-9-21(2)3)11-15-12-16(22-4)5-6-17(15)18/h5-6,8,10,12-13H,7,9,11H2,1-4H3/t13-/m1/s1
InChIKeyYYRVJJWBIQUZNR-CYBMUJFWSA-N
MW328.48 g/mol
LogP4.22
Rot. Bonds6

About 2-[6-methoxy-3-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1H-inden-2-yl]-N,N-dimethylethanamine

2-[6-methoxy-3-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1H-inden-2-yl]-N,N-dimethylethanamine (PubChem CID 46865978) has the molecular formula C19H24N2OS and a molecular weight of 328.48 g/mol. Its IUPAC name is 2-[6-methoxy-3-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1H-inden-2-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[6-methoxy-3-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1H-inden-2-yl]-N,N-dimethylethanamine
PubChem CID46865978
Molecular FormulaC19H24N2OS
Molecular Weight328.48 g/mol
Exact Mass328.16
IUPAC Name2-[6-methoxy-3-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1H-inden-2-yl]-N,N-dimethylethanamine
SMILESCOc1ccc2c(c1)CC(CCN(C)C)=C2[C@@H](C)c1nccs1
InChIInChI=1S/C19H24N2OS/c1-13(19-20-8-10-23-19)18-14(7-9-21(2)3)11-15-12-16(22-4)5-6-17(15)18/h5-6,8,10,12-13H,7,9,11H2,1-4H3/t13-/m1/s1
InChIKeyYYRVJJWBIQUZNR-CYBMUJFWSA-N
XLogP4.22
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[6-methoxy-3-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1H-inden-2-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[6-methoxy-3-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1H-inden-2-yl]-N,N-dimethylethanamine (CID 46865978) is 2-[6-methoxy-3-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1H-inden-2-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[6-methoxy-3-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1H-inden-2-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[6-methoxy-3-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1H-inden-2-yl]-N,N-dimethylethanamine is COc1ccc2c(c1)CC(CCN(C)C)=C2[C@@H](C)c1nccs1.
What is the InChIKey of 2-[6-methoxy-3-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1H-inden-2-yl]-N,N-dimethylethanamine?
The InChIKey is YYRVJJWBIQUZNR-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H24N2OS/c1-13(19-20-8-10-23-19)18-14(7-9-21(2)3)11-15-12-16(22-4)5-6-17(15)18/h5-6,8,10,12-13H,7,9,11H2,1-4H3/t13-/m1/s1.
What are the key properties of 2-[6-methoxy-3-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1H-inden-2-yl]-N,N-dimethylethanamine?
2-[6-methoxy-3-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1H-inden-2-yl]-N,N-dimethylethanamine has a molecular weight of 328.48 g/mol, XLogP of 4.22, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-methoxy-3-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1H-inden-2-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 46865978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).