(2R)-3-benzyl-2-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-1,3-thiazolidin-4-one

C19H17ClN4OS — CID 99964457

IUPAC(2R)-3-benzyl-2-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-1,3-thiazolidin-4-one
SMILESO=C1CS[C@H](c2cn(Cc3ccccc3Cl)nn2)N1Cc1ccccc1
InChIInChI=1S/C19H17ClN4OS/c20-16-9-5-4-8-15(16)11-23-12-17(21-22-23)19-24(18(25)13-26-19)10-14-6-2-1-3-7-14/h1-9,12,19H,10-11,13H2/t19-/m1/s1
InChIKeyNQSNEOHENLTUEV-LJQANCHMSA-N
MW384.89 g/mol
LogP3.75
Rot. Bonds5

About (2R)-3-benzyl-2-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-1,3-thiazolidin-4-one

(2R)-3-benzyl-2-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-1,3-thiazolidin-4-one (PubChem CID 99964457) has the molecular formula C19H17ClN4OS and a molecular weight of 384.89 g/mol. Its IUPAC name is (2R)-3-benzyl-2-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2R)-3-benzyl-2-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-1,3-thiazolidin-4-one
PubChem CID99964457
Molecular FormulaC19H17ClN4OS
Molecular Weight384.89 g/mol
Exact Mass384.08
IUPAC Name(2R)-3-benzyl-2-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-1,3-thiazolidin-4-one
SMILESO=C1CS[C@H](c2cn(Cc3ccccc3Cl)nn2)N1Cc1ccccc1
InChIInChI=1S/C19H17ClN4OS/c20-16-9-5-4-8-15(16)11-23-12-17(21-22-23)19-24(18(25)13-26-19)10-14-6-2-1-3-7-14/h1-9,12,19H,10-11,13H2/t19-/m1/s1
InChIKeyNQSNEOHENLTUEV-LJQANCHMSA-N
XLogP3.75
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.89
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-3-benzyl-2-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-1,3-thiazolidin-4-one
CID 99964469
2-[1-[(2-bromophenyl)methyl]triazol-4-yl]-3-(2-methoxyethyl)-1,3-thiazolidin-4-one
CID 132660638
(2R)-2-[1-[(2-bromophenyl)methyl]triazol-4-yl]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
CID 99964550
(2R)-3-ethyl-2-[1-[(4-methylphenyl)methyl]triazol-4-yl]-1,3-thiazolidin-4-one
CID 99966098
(2S)-2-[1-[(2-ethoxyphenyl)methyl]triazol-4-yl]-3-(2-methoxyethyl)-1,3-thiazolidin-4-one
CID 99964605
(2R)-2-[1-[(4-ethylphenyl)methyl]triazol-4-yl]-3-(2-methoxyethyl)-1,3-thiazolidin-4-one
CID 99964594
(2S)-3-(furan-2-ylmethyl)-2-[1-[(4-methylphenyl)methyl]triazol-4-yl]-1,3-thiazolidin-4-one
CID 99964515
2-[1-[(4-bromophenyl)methyl]triazol-4-yl]-3-(2-methoxyethyl)-1,3-thiazolidin-4-one
CID 132660640
(2S)-3-ethyl-2-[1-[(3-methoxyphenyl)methyl]triazol-4-yl]-1,3-thiazolidin-4-one
CID 99966123
3-benzyl-2-[1-(2-chlorophenyl)pyrrol-3-yl]-1,3-thiazolidin-4-one
CID 132655339
2-[[4-[(2S)-3-methyl-4-oxo-1,3-thiazolidin-2-yl]triazol-1-yl]methyl]benzonitrile
CID 99966076
(2S)-3-(furan-2-ylmethyl)-2-[1-[(3-methylphenyl)methyl]triazol-4-yl]-1,3-thiazolidin-4-one
CID 99964513

Frequently Asked Questions

What is the IUPAC name of (2R)-3-benzyl-2-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-1,3-thiazolidin-4-one?
The IUPAC name of (2R)-3-benzyl-2-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-1,3-thiazolidin-4-one (CID 99964457) is (2R)-3-benzyl-2-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2R)-3-benzyl-2-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-1,3-thiazolidin-4-one?
The canonical SMILES for (2R)-3-benzyl-2-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-1,3-thiazolidin-4-one is O=C1CS[C@H](c2cn(Cc3ccccc3Cl)nn2)N1Cc1ccccc1.
What is the InChIKey of (2R)-3-benzyl-2-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-1,3-thiazolidin-4-one?
The InChIKey is NQSNEOHENLTUEV-LJQANCHMSA-N. The full InChI is InChI=1S/C19H17ClN4OS/c20-16-9-5-4-8-15(16)11-23-12-17(21-22-23)19-24(18(25)13-26-19)10-14-6-2-1-3-7-14/h1-9,12,19H,10-11,13H2/t19-/m1/s1.
What are the key properties of (2R)-3-benzyl-2-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-1,3-thiazolidin-4-one?
(2R)-3-benzyl-2-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-1,3-thiazolidin-4-one has a molecular weight of 384.89 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-benzyl-2-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 99964457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).