2-[6-methoxy-3-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-inden-2-yl]-N,N-dimethylethanamine

C20H26N2OS — CID 56669608

IUPAC2-[6-methoxy-3-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-inden-2-yl]-N,N-dimethylethanamine
SMILESCOc1ccc2c(c1)CC(CCN(C)C)=C2[C@@H](C)c1nc(C)cs1
InChIInChI=1S/C20H26N2OS/c1-13-12-24-20(21-13)14(2)19-15(8-9-22(3)4)10-16-11-17(23-5)6-7-18(16)19/h6-7,11-12,14H,8-10H2,1-5H3/t14-/m1/s1
InChIKeyDLKPLPXMMLSVDF-CQSZACIVSA-N
MW342.51 g/mol
LogP4.53
Rot. Bonds6

About 2-[6-methoxy-3-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-inden-2-yl]-N,N-dimethylethanamine

2-[6-methoxy-3-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-inden-2-yl]-N,N-dimethylethanamine (PubChem CID 56669608) has the molecular formula C20H26N2OS and a molecular weight of 342.51 g/mol. Its IUPAC name is 2-[6-methoxy-3-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-inden-2-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[6-methoxy-3-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-inden-2-yl]-N,N-dimethylethanamine
PubChem CID56669608
Molecular FormulaC20H26N2OS
Molecular Weight342.51 g/mol
Exact Mass342.18
IUPAC Name2-[6-methoxy-3-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-inden-2-yl]-N,N-dimethylethanamine
SMILESCOc1ccc2c(c1)CC(CCN(C)C)=C2[C@@H](C)c1nc(C)cs1
InChIInChI=1S/C20H26N2OS/c1-13-12-24-20(21-13)14(2)19-15(8-9-22(3)4)10-16-11-17(23-5)6-7-18(16)19/h6-7,11-12,14H,8-10H2,1-5H3/t14-/m1/s1
InChIKeyDLKPLPXMMLSVDF-CQSZACIVSA-N
XLogP4.53
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.51
LogP ≤ 54.53
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-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-inden-2-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[6-methoxy-3-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-inden-2-yl]-N,N-dimethylethanamine (CID 56669608) is 2-[6-methoxy-3-[(1R)-1-(4-methyl-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-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-inden-2-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[6-methoxy-3-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-inden-2-yl]-N,N-dimethylethanamine is COc1ccc2c(c1)CC(CCN(C)C)=C2[C@@H](C)c1nc(C)cs1.
What is the InChIKey of 2-[6-methoxy-3-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-inden-2-yl]-N,N-dimethylethanamine?
The InChIKey is DLKPLPXMMLSVDF-CQSZACIVSA-N. The full InChI is InChI=1S/C20H26N2OS/c1-13-12-24-20(21-13)14(2)19-15(8-9-22(3)4)10-16-11-17(23-5)6-7-18(16)19/h6-7,11-12,14H,8-10H2,1-5H3/t14-/m1/s1.
What are the key properties of 2-[6-methoxy-3-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-inden-2-yl]-N,N-dimethylethanamine?
2-[6-methoxy-3-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-inden-2-yl]-N,N-dimethylethanamine has a molecular weight of 342.51 g/mol, XLogP of 4.53, 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-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-inden-2-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 56669608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).