1-[5-(2,3-dihydro-1H-inden-2-yl)-1,3,4-thiadiazol-2-yl]-N-ethylpropan-1-amine

C16H21N3S — CID 106894443

IUPAC1-[5-(2,3-dihydro-1H-inden-2-yl)-1,3,4-thiadiazol-2-yl]-N-ethylpropan-1-amine
SMILESCCNC(CC)c1nnc(C2Cc3ccccc3C2)s1
InChIInChI=1S/C16H21N3S/c1-3-14(17-4-2)16-19-18-15(20-16)13-9-11-7-5-6-8-12(11)10-13/h5-8,13-14,17H,3-4,9-10H2,1-2H3
InChIKeyAKEZRJOOKOGGQN-UHFFFAOYSA-N
MW287.43 g/mol
LogP3.48
Rot. Bonds5

About 1-[5-(2,3-dihydro-1H-inden-2-yl)-1,3,4-thiadiazol-2-yl]-N-ethylpropan-1-amine

1-[5-(2,3-dihydro-1H-inden-2-yl)-1,3,4-thiadiazol-2-yl]-N-ethylpropan-1-amine (PubChem CID 106894443) has the molecular formula C16H21N3S and a molecular weight of 287.43 g/mol. Its IUPAC name is 1-[5-(2,3-dihydro-1H-inden-2-yl)-1,3,4-thiadiazol-2-yl]-N-ethylpropan-1-amine.

Molecular Properties

Compound Name1-[5-(2,3-dihydro-1H-inden-2-yl)-1,3,4-thiadiazol-2-yl]-N-ethylpropan-1-amine
PubChem CID106894443
Molecular FormulaC16H21N3S
Molecular Weight287.43 g/mol
Exact Mass287.15
IUPAC Name1-[5-(2,3-dihydro-1H-inden-2-yl)-1,3,4-thiadiazol-2-yl]-N-ethylpropan-1-amine
SMILESCCNC(CC)c1nnc(C2Cc3ccccc3C2)s1
InChIInChI=1S/C16H21N3S/c1-3-14(17-4-2)16-19-18-15(20-16)13-9-11-7-5-6-8-12(11)10-13/h5-8,13-14,17H,3-4,9-10H2,1-2H3
InChIKeyAKEZRJOOKOGGQN-UHFFFAOYSA-N
XLogP3.48
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-(2-phenylphenyl)-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine
CID 13684163
(1S)-N-[bis(2-methylphenyl)methyl]-1-(5-methyl-1,3,4-thiadiazol-2-yl)ethanamine
CID 124845179
(2S)-N-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methyl]-1-(2-fluorophenyl)propan-2-amine
CID 164631854
5-[(1S)-1-(2,3-dihydro-1H-inden-2-ylamino)ethyl]-1,3,4-thiadiazol-2-amine
CID 164641502
N-[[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]methyl]-2-methylpropan-1-amine
CID 65703483
N-[[5-[(3-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine
CID 65703621
N-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine
CID 65703628
N-ethyl-1-[5-[(3-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]ethanamine
CID 65704332
N-[1-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]ethyl]propan-1-amine
CID 65704364
N-[[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine
CID 65704645
N-ethyl-1-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]ethanamine
CID 65704746
N-[[5-[(3-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]methyl]-2-methylpropan-1-amine
CID 65705094

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,3-dihydro-1H-inden-2-yl)-1,3,4-thiadiazol-2-yl]-N-ethylpropan-1-amine?
The IUPAC name of 1-[5-(2,3-dihydro-1H-inden-2-yl)-1,3,4-thiadiazol-2-yl]-N-ethylpropan-1-amine (CID 106894443) is 1-[5-(2,3-dihydro-1H-inden-2-yl)-1,3,4-thiadiazol-2-yl]-N-ethylpropan-1-amine.
What is the SMILES notation for 1-[5-(2,3-dihydro-1H-inden-2-yl)-1,3,4-thiadiazol-2-yl]-N-ethylpropan-1-amine?
The canonical SMILES for 1-[5-(2,3-dihydro-1H-inden-2-yl)-1,3,4-thiadiazol-2-yl]-N-ethylpropan-1-amine is CCNC(CC)c1nnc(C2Cc3ccccc3C2)s1.
What is the InChIKey of 1-[5-(2,3-dihydro-1H-inden-2-yl)-1,3,4-thiadiazol-2-yl]-N-ethylpropan-1-amine?
The InChIKey is AKEZRJOOKOGGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3S/c1-3-14(17-4-2)16-19-18-15(20-16)13-9-11-7-5-6-8-12(11)10-13/h5-8,13-14,17H,3-4,9-10H2,1-2H3.
What are the key properties of 1-[5-(2,3-dihydro-1H-inden-2-yl)-1,3,4-thiadiazol-2-yl]-N-ethylpropan-1-amine?
1-[5-(2,3-dihydro-1H-inden-2-yl)-1,3,4-thiadiazol-2-yl]-N-ethylpropan-1-amine has a molecular weight of 287.43 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,3-dihydro-1H-inden-2-yl)-1,3,4-thiadiazol-2-yl]-N-ethylpropan-1-amine is sourced from PubChem (CID 106894443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).