N,N-dimethyl-2-[3-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1H-inden-2-yl]ethanamine

C18H22N2S — CID 46884666

IUPACN,N-dimethyl-2-[3-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1H-inden-2-yl]ethanamine
SMILESC[C@H](C1=C(CCN(C)C)Cc2ccccc21)c1nccs1
InChIInChI=1S/C18H22N2S/c1-13(18-19-9-11-21-18)17-15(8-10-20(2)3)12-14-6-4-5-7-16(14)17/h4-7,9,11,13H,8,10,12H2,1-3H3/t13-/m1/s1
InChIKeyDTQWVENQVGQFAP-CYBMUJFWSA-N
MW298.45 g/mol
LogP4.21
Rot. Bonds5

About N,N-dimethyl-2-[3-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1H-inden-2-yl]ethanamine

N,N-dimethyl-2-[3-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1H-inden-2-yl]ethanamine (PubChem CID 46884666) has the molecular formula C18H22N2S and a molecular weight of 298.45 g/mol. Its IUPAC name is N,N-dimethyl-2-[3-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1H-inden-2-yl]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[3-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1H-inden-2-yl]ethanamine
PubChem CID46884666
Molecular FormulaC18H22N2S
Molecular Weight298.45 g/mol
Exact Mass298.15
IUPAC NameN,N-dimethyl-2-[3-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1H-inden-2-yl]ethanamine
SMILESC[C@H](C1=C(CCN(C)C)Cc2ccccc21)c1nccs1
InChIInChI=1S/C18H22N2S/c1-13(18-19-9-11-21-18)17-15(8-10-20(2)3)12-14-6-4-5-7-16(14)17/h4-7,9,11,13H,8,10,12H2,1-3H3/t13-/m1/s1
InChIKeyDTQWVENQVGQFAP-CYBMUJFWSA-N
XLogP4.21
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N,N-dimethyl-2-[3-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1H-inden-2-yl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[3-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1H-inden-2-yl]ethanamine?
The IUPAC name of N,N-dimethyl-2-[3-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1H-inden-2-yl]ethanamine (CID 46884666) is N,N-dimethyl-2-[3-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1H-inden-2-yl]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[3-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1H-inden-2-yl]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[3-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1H-inden-2-yl]ethanamine is C[C@H](C1=C(CCN(C)C)Cc2ccccc21)c1nccs1.
What is the InChIKey of N,N-dimethyl-2-[3-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1H-inden-2-yl]ethanamine?
The InChIKey is DTQWVENQVGQFAP-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H22N2S/c1-13(18-19-9-11-21-18)17-15(8-10-20(2)3)12-14-6-4-5-7-16(14)17/h4-7,9,11,13H,8,10,12H2,1-3H3/t13-/m1/s1.
What are the key properties of N,N-dimethyl-2-[3-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1H-inden-2-yl]ethanamine?
N,N-dimethyl-2-[3-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1H-inden-2-yl]ethanamine has a molecular weight of 298.45 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[3-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1H-inden-2-yl]ethanamine is sourced from PubChem (CID 46884666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).