[5-(1-aminoethyl)furan-2-yl]-[4-[[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]methyl]-1,3-thiazolidin-3-yl]methanone

C20H25N3O2S — CID 67386690

IUPAC[5-(1-aminoethyl)furan-2-yl]-[4-[[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]methyl]-1,3-thiazolidin-3-yl]methanone
SMILESCC(N)c1ccc(C(=O)N2CSCC2CN[C@@H]2CCc3ccccc32)o1
InChIInChI=1S/C20H25N3O2S/c1-13(21)18-8-9-19(25-18)20(24)23-12-26-11-15(23)10-22-17-7-6-14-4-2-3-5-16(14)17/h2-5,8-9,13,15,17,22H,6-7,10-12,21H2,1H3/t13?,15?,17-/m1/s1
InChIKeyNEXVFVMQQXXTIG-PUJMQQBBSA-N
MW371.51 g/mol
LogP3.09
Rot. Bonds5

About [5-(1-aminoethyl)furan-2-yl]-[4-[[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]methyl]-1,3-thiazolidin-3-yl]methanone

[5-(1-aminoethyl)furan-2-yl]-[4-[[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]methyl]-1,3-thiazolidin-3-yl]methanone (PubChem CID 67386690) has the molecular formula C20H25N3O2S and a molecular weight of 371.51 g/mol. Its IUPAC name is [5-(1-aminoethyl)furan-2-yl]-[4-[[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]methyl]-1,3-thiazolidin-3-yl]methanone.

Molecular Properties

Compound Name[5-(1-aminoethyl)furan-2-yl]-[4-[[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]methyl]-1,3-thiazolidin-3-yl]methanone
PubChem CID67386690
Molecular FormulaC20H25N3O2S
Molecular Weight371.51 g/mol
Exact Mass371.17
IUPAC Name[5-(1-aminoethyl)furan-2-yl]-[4-[[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]methyl]-1,3-thiazolidin-3-yl]methanone
SMILESCC(N)c1ccc(C(=O)N2CSCC2CN[C@@H]2CCc3ccccc32)o1
InChIInChI=1S/C20H25N3O2S/c1-13(21)18-8-9-19(25-18)20(24)23-12-26-11-15(23)10-22-17-7-6-14-4-2-3-5-16(14)17/h2-5,8-9,13,15,17,22H,6-7,10-12,21H2,1H3/t13?,15?,17-/m1/s1
InChIKeyNEXVFVMQQXXTIG-PUJMQQBBSA-N
XLogP3.09
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [5-(1-aminoethyl)furan-2-yl]-[4-[[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]methyl]-1,3-thiazolidin-3-yl]methanone with MolForge

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Related Compounds

3-(2,3-dihydro-1H-inden-1-ylamino)-2-methylpropanamide
CID 43652107
3-(2,3-dihydro-1H-inden-1-ylamino)-2-methylpropanoic acid
CID 43652106
[5-(1-aminoethyl)furan-2-yl]-[(2S,4R)-4-phenyl-2-[[(3R)-3-phenylpyrrolidin-1-yl]methyl]pyrrolidin-1-yl]methanone
CID 44599017
(2S,4R)-1-[4-(1-aminoethyl)-5-methylfuran-2-carbonyl]-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-phenylpyrrolidine-2-carboxamide
CID 67176583
2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]acetic acid
CID 13100819
methyl 2-(2,3-dihydro-1H-inden-1-ylamino)propanoate
CID 60780698
2-(2,3-dihydro-1H-inden-1-ylamino)-1-piperidin-1-ylethanone
CID 43411240
2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]acetic acid;hydrochloride
CID 22976313
2-(2,3-dihydro-1H-inden-1-ylamino)-1-piperidin-1-ylpropan-1-one
CID 43411283
N-butan-2-yl-2-(2,3-dihydro-1H-inden-1-ylamino)acetamide
CID 43424190
2-(2,3-dihydro-1H-inden-1-ylamino)acetic acid;prop-2-enyl (2S)-2-amino-3-methylbutanoate
CID 131731717
2-(2,3-dihydro-1H-inden-1-ylamino)-1-phenylethanol
CID 43394134

Frequently Asked Questions

What is the IUPAC name of [5-(1-aminoethyl)furan-2-yl]-[4-[[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]methyl]-1,3-thiazolidin-3-yl]methanone?
The IUPAC name of [5-(1-aminoethyl)furan-2-yl]-[4-[[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]methyl]-1,3-thiazolidin-3-yl]methanone (CID 67386690) is [5-(1-aminoethyl)furan-2-yl]-[4-[[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]methyl]-1,3-thiazolidin-3-yl]methanone.
What is the SMILES notation for [5-(1-aminoethyl)furan-2-yl]-[4-[[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]methyl]-1,3-thiazolidin-3-yl]methanone?
The canonical SMILES for [5-(1-aminoethyl)furan-2-yl]-[4-[[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]methyl]-1,3-thiazolidin-3-yl]methanone is CC(N)c1ccc(C(=O)N2CSCC2CN[C@@H]2CCc3ccccc32)o1.
What is the InChIKey of [5-(1-aminoethyl)furan-2-yl]-[4-[[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]methyl]-1,3-thiazolidin-3-yl]methanone?
The InChIKey is NEXVFVMQQXXTIG-PUJMQQBBSA-N. The full InChI is InChI=1S/C20H25N3O2S/c1-13(21)18-8-9-19(25-18)20(24)23-12-26-11-15(23)10-22-17-7-6-14-4-2-3-5-16(14)17/h2-5,8-9,13,15,17,22H,6-7,10-12,21H2,1H3/t13?,15?,17-/m1/s1.
What are the key properties of [5-(1-aminoethyl)furan-2-yl]-[4-[[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]methyl]-1,3-thiazolidin-3-yl]methanone?
[5-(1-aminoethyl)furan-2-yl]-[4-[[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]methyl]-1,3-thiazolidin-3-yl]methanone has a molecular weight of 371.51 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1-aminoethyl)furan-2-yl]-[4-[[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]methyl]-1,3-thiazolidin-3-yl]methanone is sourced from PubChem (CID 67386690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).