(2R)-2-[1-[(2-bromophenyl)methyl]triazol-4-yl]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one

C17H15BrN4O2S — CID 99964550

IUPAC(2R)-2-[1-[(2-bromophenyl)methyl]triazol-4-yl]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
SMILESO=C1CS[C@H](c2cn(Cc3ccccc3Br)nn2)N1Cc1ccco1
InChIInChI=1S/C17H15BrN4O2S/c18-14-6-2-1-4-12(14)8-21-10-15(19-20-21)17-22(16(23)11-25-17)9-13-5-3-7-24-13/h1-7,10,17H,8-9,11H2/t17-/m1/s1
InChIKeyAYXQYQBHTUOMJH-QGZVFWFLSA-N
MW419.30 g/mol
LogP3.46
Rot. Bonds5

About (2R)-2-[1-[(2-bromophenyl)methyl]triazol-4-yl]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one

(2R)-2-[1-[(2-bromophenyl)methyl]triazol-4-yl]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one (PubChem CID 99964550) has the molecular formula C17H15BrN4O2S and a molecular weight of 419.30 g/mol. Its IUPAC name is (2R)-2-[1-[(2-bromophenyl)methyl]triazol-4-yl]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2R)-2-[1-[(2-bromophenyl)methyl]triazol-4-yl]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
PubChem CID99964550
Molecular FormulaC17H15BrN4O2S
Molecular Weight419.30 g/mol
Exact Mass418.01
IUPAC Name(2R)-2-[1-[(2-bromophenyl)methyl]triazol-4-yl]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
SMILESO=C1CS[C@H](c2cn(Cc3ccccc3Br)nn2)N1Cc1ccco1
InChIInChI=1S/C17H15BrN4O2S/c18-14-6-2-1-4-12(14)8-21-10-15(19-20-21)17-22(16(23)11-25-17)9-13-5-3-7-24-13/h1-7,10,17H,8-9,11H2/t17-/m1/s1
InChIKeyAYXQYQBHTUOMJH-QGZVFWFLSA-N
XLogP3.46
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.30
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-3-(furan-2-ylmethyl)-2-[1-[(4-methylphenyl)methyl]triazol-4-yl]-1,3-thiazolidin-4-one
CID 99964515
(2S)-3-(furan-2-ylmethyl)-2-[1-[(3-methylphenyl)methyl]triazol-4-yl]-1,3-thiazolidin-4-one
CID 99964513
2-[1-[(2-bromophenyl)methyl]triazol-4-yl]-3-(2-methoxyethyl)-1,3-thiazolidin-4-one
CID 132660638
(2R)-3-benzyl-2-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-1,3-thiazolidin-4-one
CID 99964457
(2R)-3-benzyl-2-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-1,3-thiazolidin-4-one
CID 99964469
3-(furan-2-ylmethyl)-2-(2,3,4,5,6-pentafluorophenyl)-1,3-thiazolidin-4-one
CID 6482984
(2R)-3-(furan-2-ylmethyl)-2-(1-phenylpyrrol-3-yl)-1,3-thiazolidin-4-one
CID 99964311
(2S)-2-[1-[(2-ethoxyphenyl)methyl]triazol-4-yl]-3-(2-methoxyethyl)-1,3-thiazolidin-4-one
CID 99964605
2-[[4-[(2S)-3-methyl-4-oxo-1,3-thiazolidin-2-yl]triazol-1-yl]methyl]benzonitrile
CID 99966076
4-[(2R)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzoic acid
CID 967754
(2R)-3-ethyl-2-[1-[(4-methylphenyl)methyl]triazol-4-yl]-1,3-thiazolidin-4-one
CID 99966098
N-[(2-chlorophenyl)methyl]-4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide
CID 3883772

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[1-[(2-bromophenyl)methyl]triazol-4-yl]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one?
The IUPAC name of (2R)-2-[1-[(2-bromophenyl)methyl]triazol-4-yl]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one (CID 99964550) is (2R)-2-[1-[(2-bromophenyl)methyl]triazol-4-yl]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for (2R)-2-[1-[(2-bromophenyl)methyl]triazol-4-yl]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one?
The canonical SMILES for (2R)-2-[1-[(2-bromophenyl)methyl]triazol-4-yl]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one is O=C1CS[C@H](c2cn(Cc3ccccc3Br)nn2)N1Cc1ccco1.
What is the InChIKey of (2R)-2-[1-[(2-bromophenyl)methyl]triazol-4-yl]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one?
The InChIKey is AYXQYQBHTUOMJH-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H15BrN4O2S/c18-14-6-2-1-4-12(14)8-21-10-15(19-20-21)17-22(16(23)11-25-17)9-13-5-3-7-24-13/h1-7,10,17H,8-9,11H2/t17-/m1/s1.
What are the key properties of (2R)-2-[1-[(2-bromophenyl)methyl]triazol-4-yl]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one?
(2R)-2-[1-[(2-bromophenyl)methyl]triazol-4-yl]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one has a molecular weight of 419.30 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[1-[(2-bromophenyl)methyl]triazol-4-yl]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 99964550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).