2-(2,3-dihydro-1H-inden-5-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine

C16H21N3S — CID 105152360

IUPAC2-(2,3-dihydro-1H-inden-5-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine
SMILESCC(C)c1nnsc1C(N)Cc1ccc2c(c1)CCC2
InChIInChI=1S/C16H21N3S/c1-10(2)15-16(20-19-18-15)14(17)9-11-6-7-12-4-3-5-13(12)8-11/h6-8,10,14H,3-5,9,17H2,1-2H3
InChIKeyQJHOGUMRESFCOC-UHFFFAOYSA-N
MW287.43 g/mol
LogP3.39
Rot. Bonds4

About 2-(2,3-dihydro-1H-inden-5-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine

2-(2,3-dihydro-1H-inden-5-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine (PubChem CID 105152360) has the molecular formula C16H21N3S and a molecular weight of 287.43 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine
PubChem CID105152360
Molecular FormulaC16H21N3S
Molecular Weight287.43 g/mol
Exact Mass287.15
IUPAC Name2-(2,3-dihydro-1H-inden-5-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine
SMILESCC(C)c1nnsc1C(N)Cc1ccc2c(c1)CCC2
InChIInChI=1S/C16H21N3S/c1-10(2)15-16(20-19-18-15)14(17)9-11-6-7-12-4-3-5-13(12)8-11/h6-8,10,14H,3-5,9,17H2,1-2H3
InChIKeyQJHOGUMRESFCOC-UHFFFAOYSA-N
XLogP3.39
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-propan-2-ylphenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine
CID 105136962
2-(2,3-dihydro-1H-inden-5-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanone
CID 105103824
1-(3-chlorothiophen-2-yl)-2-(2,3-dihydro-1H-inden-5-yl)ethanamine
CID 115865039
[2-(2,3-dihydro-1H-inden-5-yl)-1-(4-ethylthiadiazol-5-yl)ethyl]hydrazine
CID 105310750
2-(2,3-dihydro-1H-inden-5-yl)-1-(2,6-dimethyl-4-pyridinyl)ethanamine
CID 107503122
5-(2,3-dihydro-1H-inden-5-ylmethyl)-4-propan-2-yl-1,3-thiazol-2-amine
CID 62064832
6-(2-chloropropyl)-1,2,3,4-tetrahydronaphthalene
CID 82255501
2-(2,3-dihydro-1H-inden-5-yl)-1-(3,4-dimethylphenyl)ethanamine
CID 115864878
2-(2,3-dihydro-1H-inden-5-yl)-1-(2,4-dimethylphenyl)ethanamine
CID 115864870
2-(2-methoxyphenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine
CID 105107359
2-(2,3-dihydro-1H-inden-5-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105152416
2-(2,3-dihydro-1H-inden-5-yl)-1-(4-methoxythiophen-2-yl)ethanamine
CID 115865080

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine (CID 105152360) is 2-(2,3-dihydro-1H-inden-5-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine is CC(C)c1nnsc1C(N)Cc1ccc2c(c1)CCC2.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine?
The InChIKey is QJHOGUMRESFCOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3S/c1-10(2)15-16(20-19-18-15)14(17)9-11-6-7-12-4-3-5-13(12)8-11/h6-8,10,14H,3-5,9,17H2,1-2H3.
What are the key properties of 2-(2,3-dihydro-1H-inden-5-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine?
2-(2,3-dihydro-1H-inden-5-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine has a molecular weight of 287.43 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine is sourced from PubChem (CID 105152360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).