1-(2,3-dihydro-1H-inden-5-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine

C16H20N2S — CID 61281399

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine
SMILESCc1ncc(CNC(C)c2ccc3c(c2)CCC3)s1
InChIInChI=1S/C16H20N2S/c1-11(17-9-16-10-18-12(2)19-16)14-7-6-13-4-3-5-15(13)8-14/h6-8,10-11,17H,3-5,9H2,1-2H3
InChIKeyDLNCJVHLBROQHW-UHFFFAOYSA-N
MW272.42 g/mol
LogP3.79
Rot. Bonds4

About 1-(2,3-dihydro-1H-inden-5-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine

1-(2,3-dihydro-1H-inden-5-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine (PubChem CID 61281399) has the molecular formula C16H20N2S and a molecular weight of 272.42 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine
PubChem CID61281399
Molecular FormulaC16H20N2S
Molecular Weight272.42 g/mol
Exact Mass272.13
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine
SMILESCc1ncc(CNC(C)c2ccc3c(c2)CCC3)s1
InChIInChI=1S/C16H20N2S/c1-11(17-9-16-10-18-12(2)19-16)14-7-6-13-4-3-5-15(13)8-14/h6-8,10-11,17H,3-5,9H2,1-2H3
InChIKeyDLNCJVHLBROQHW-UHFFFAOYSA-N
XLogP3.79
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1H-inden-5-yl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 103786274
N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 65246342
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-(4-propan-2-yloxyphenyl)ethanamine
CID 60776659
1-(2,3-dihydro-1H-inden-5-yl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine
CID 63305868
1-(2,3-dihydro-1H-inden-5-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 103913382
N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 60695990
1-(2,3-dihydro-1H-inden-5-yl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 78971653
1-(3-fluoro-4-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 60777008
N-[(2-methylpyrimidin-4-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 61015757
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 43200388
N-(2,3-dihydro-1H-inden-5-ylmethyl)-1-(5-methyl-1,3-thiazol-2-yl)ethanamine
CID 112696993
1-(5,6,7,8-tetrahydronaphthalen-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine
CID 54885064

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine (CID 61281399) is 1-(2,3-dihydro-1H-inden-5-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine is Cc1ncc(CNC(C)c2ccc3c(c2)CCC3)s1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine?
The InChIKey is DLNCJVHLBROQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2S/c1-11(17-9-16-10-18-12(2)19-16)14-7-6-13-4-3-5-15(13)8-14/h6-8,10-11,17H,3-5,9H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine?
1-(2,3-dihydro-1H-inden-5-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine has a molecular weight of 272.42 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 61281399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).