N,N-dimethyl-2-[3-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-inden-2-yl]ethanamine

C19H24N2S — CID 46884667

IUPACN,N-dimethyl-2-[3-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-inden-2-yl]ethanamine
SMILESCc1csc([C@H](C)C2=C(CCN(C)C)Cc3ccccc32)n1
InChIInChI=1S/C19H24N2S/c1-13-12-22-19(20-13)14(2)18-16(9-10-21(3)4)11-15-7-5-6-8-17(15)18/h5-8,12,14H,9-11H2,1-4H3/t14-/m1/s1
InChIKeySQDIKQKCDLMHCF-CQSZACIVSA-N
MW312.48 g/mol
LogP4.52
Rot. Bonds5

About N,N-dimethyl-2-[3-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-inden-2-yl]ethanamine

N,N-dimethyl-2-[3-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-inden-2-yl]ethanamine (PubChem CID 46884667) has the molecular formula C19H24N2S and a molecular weight of 312.48 g/mol. Its IUPAC name is N,N-dimethyl-2-[3-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-inden-2-yl]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[3-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-inden-2-yl]ethanamine
PubChem CID46884667
Molecular FormulaC19H24N2S
Molecular Weight312.48 g/mol
Exact Mass312.17
IUPAC NameN,N-dimethyl-2-[3-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-inden-2-yl]ethanamine
SMILESCc1csc([C@H](C)C2=C(CCN(C)C)Cc3ccccc32)n1
InChIInChI=1S/C19H24N2S/c1-13-12-22-19(20-13)14(2)18-16(9-10-21(3)4)11-15-7-5-6-8-17(15)18/h5-8,12,14H,9-11H2,1-4H3/t14-/m1/s1
InChIKeySQDIKQKCDLMHCF-CQSZACIVSA-N
XLogP4.52
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.48
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[3-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-inden-2-yl]ethanamine?
The IUPAC name of N,N-dimethyl-2-[3-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-inden-2-yl]ethanamine (CID 46884667) is N,N-dimethyl-2-[3-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-inden-2-yl]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[3-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-inden-2-yl]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[3-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-inden-2-yl]ethanamine is Cc1csc([C@H](C)C2=C(CCN(C)C)Cc3ccccc32)n1.
What is the InChIKey of N,N-dimethyl-2-[3-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-inden-2-yl]ethanamine?
The InChIKey is SQDIKQKCDLMHCF-CQSZACIVSA-N. The full InChI is InChI=1S/C19H24N2S/c1-13-12-22-19(20-13)14(2)18-16(9-10-21(3)4)11-15-7-5-6-8-17(15)18/h5-8,12,14H,9-11H2,1-4H3/t14-/m1/s1.
What are the key properties of N,N-dimethyl-2-[3-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-inden-2-yl]ethanamine?
N,N-dimethyl-2-[3-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-inden-2-yl]ethanamine has a molecular weight of 312.48 g/mol, XLogP of 4.52, 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-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-inden-2-yl]ethanamine is sourced from PubChem (CID 46884667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).