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

C17H22N4O2S — CID 99964594

IUPAC(2R)-2-[1-[(4-ethylphenyl)methyl]triazol-4-yl]-3-(2-methoxyethyl)-1,3-thiazolidin-4-one
SMILESCCc1ccc(Cn2cc([C@H]3SCC(=O)N3CCOC)nn2)cc1
InChIInChI=1S/C17H22N4O2S/c1-3-13-4-6-14(7-5-13)10-20-11-15(18-19-20)17-21(8-9-23-2)16(22)12-24-17/h4-7,11,17H,3,8-10,12H2,1-2H3/t17-/m1/s1
InChIKeyAYRORGPIUVWMCM-QGZVFWFLSA-N
MW346.46 g/mol
LogP2.11
Rot. Bonds7

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

(2R)-2-[1-[(4-ethylphenyl)methyl]triazol-4-yl]-3-(2-methoxyethyl)-1,3-thiazolidin-4-one (PubChem CID 99964594) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is (2R)-2-[1-[(4-ethylphenyl)methyl]triazol-4-yl]-3-(2-methoxyethyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2R)-2-[1-[(4-ethylphenyl)methyl]triazol-4-yl]-3-(2-methoxyethyl)-1,3-thiazolidin-4-one
PubChem CID99964594
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC Name(2R)-2-[1-[(4-ethylphenyl)methyl]triazol-4-yl]-3-(2-methoxyethyl)-1,3-thiazolidin-4-one
SMILESCCc1ccc(Cn2cc([C@H]3SCC(=O)N3CCOC)nn2)cc1
InChIInChI=1S/C17H22N4O2S/c1-3-13-4-6-14(7-5-13)10-20-11-15(18-19-20)17-21(8-9-23-2)16(22)12-24-17/h4-7,11,17H,3,8-10,12H2,1-2H3/t17-/m1/s1
InChIKeyAYRORGPIUVWMCM-QGZVFWFLSA-N
XLogP2.11
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-[(4-bromophenyl)methyl]triazol-4-yl]-3-(2-methoxyethyl)-1,3-thiazolidin-4-one
CID 132660640
2-[1-[(4-ethoxyphenyl)methyl]triazol-4-yl]-3-(2-methoxyethyl)-1,3-thiazolidin-4-one
CID 132654512
2-[1-[(2-bromophenyl)methyl]triazol-4-yl]-3-(2-methoxyethyl)-1,3-thiazolidin-4-one
CID 132660638
(2S)-2-[1-[(2-ethoxyphenyl)methyl]triazol-4-yl]-3-(2-methoxyethyl)-1,3-thiazolidin-4-one
CID 99964605
(2R)-3-ethyl-2-[1-[(4-methylphenyl)methyl]triazol-4-yl]-1,3-thiazolidin-4-one
CID 99966098
(2S)-3-ethyl-2-[1-[(3-methoxyphenyl)methyl]triazol-4-yl]-1,3-thiazolidin-4-one
CID 99966123
(2R)-3-benzyl-2-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-1,3-thiazolidin-4-one
CID 99964469
2-[1-(4-ethylphenyl)pyrrol-3-yl]-3-(2-methoxyethyl)-1,3-thiazolidin-4-one
CID 132651476
(2R)-3-benzyl-2-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-1,3-thiazolidin-4-one
CID 99964457
3-(2-methoxyethyl)-2-quinolin-2-yl-1,3-thiazolidin-4-one
CID 4645389
(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

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[1-[(4-ethylphenyl)methyl]triazol-4-yl]-3-(2-methoxyethyl)-1,3-thiazolidin-4-one?
The IUPAC name of (2R)-2-[1-[(4-ethylphenyl)methyl]triazol-4-yl]-3-(2-methoxyethyl)-1,3-thiazolidin-4-one (CID 99964594) is (2R)-2-[1-[(4-ethylphenyl)methyl]triazol-4-yl]-3-(2-methoxyethyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for (2R)-2-[1-[(4-ethylphenyl)methyl]triazol-4-yl]-3-(2-methoxyethyl)-1,3-thiazolidin-4-one?
The canonical SMILES for (2R)-2-[1-[(4-ethylphenyl)methyl]triazol-4-yl]-3-(2-methoxyethyl)-1,3-thiazolidin-4-one is CCc1ccc(Cn2cc([C@H]3SCC(=O)N3CCOC)nn2)cc1.
What is the InChIKey of (2R)-2-[1-[(4-ethylphenyl)methyl]triazol-4-yl]-3-(2-methoxyethyl)-1,3-thiazolidin-4-one?
The InChIKey is AYRORGPIUVWMCM-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-3-13-4-6-14(7-5-13)10-20-11-15(18-19-20)17-21(8-9-23-2)16(22)12-24-17/h4-7,11,17H,3,8-10,12H2,1-2H3/t17-/m1/s1.
What are the key properties of (2R)-2-[1-[(4-ethylphenyl)methyl]triazol-4-yl]-3-(2-methoxyethyl)-1,3-thiazolidin-4-one?
(2R)-2-[1-[(4-ethylphenyl)methyl]triazol-4-yl]-3-(2-methoxyethyl)-1,3-thiazolidin-4-one has a molecular weight of 346.46 g/mol, XLogP of 2.11, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[1-[(4-ethylphenyl)methyl]triazol-4-yl]-3-(2-methoxyethyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 99964594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).