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

C17H22N4O3S — CID 99964605

IUPAC(2S)-2-[1-[(2-ethoxyphenyl)methyl]triazol-4-yl]-3-(2-methoxyethyl)-1,3-thiazolidin-4-one
SMILESCCOc1ccccc1Cn1cc([C@@H]2SCC(=O)N2CCOC)nn1
InChIInChI=1S/C17H22N4O3S/c1-3-24-15-7-5-4-6-13(15)10-20-11-14(18-19-20)17-21(8-9-23-2)16(22)12-25-17/h4-7,11,17H,3,8-10,12H2,1-2H3/t17-/m0/s1
InChIKeyYIIMMGZOQGWEDC-KRWDZBQOSA-N
MW362.46 g/mol
LogP1.95
Rot. Bonds8

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

(2S)-2-[1-[(2-ethoxyphenyl)methyl]triazol-4-yl]-3-(2-methoxyethyl)-1,3-thiazolidin-4-one (PubChem CID 99964605) has the molecular formula C17H22N4O3S and a molecular weight of 362.46 g/mol. Its IUPAC name is (2S)-2-[1-[(2-ethoxyphenyl)methyl]triazol-4-yl]-3-(2-methoxyethyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2S)-2-[1-[(2-ethoxyphenyl)methyl]triazol-4-yl]-3-(2-methoxyethyl)-1,3-thiazolidin-4-one
PubChem CID99964605
Molecular FormulaC17H22N4O3S
Molecular Weight362.46 g/mol
Exact Mass362.14
IUPAC Name(2S)-2-[1-[(2-ethoxyphenyl)methyl]triazol-4-yl]-3-(2-methoxyethyl)-1,3-thiazolidin-4-one
SMILESCCOc1ccccc1Cn1cc([C@@H]2SCC(=O)N2CCOC)nn1
InChIInChI=1S/C17H22N4O3S/c1-3-24-15-7-5-4-6-13(15)10-20-11-14(18-19-20)17-21(8-9-23-2)16(22)12-25-17/h4-7,11,17H,3,8-10,12H2,1-2H3/t17-/m0/s1
InChIKeyYIIMMGZOQGWEDC-KRWDZBQOSA-N
XLogP1.95
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[1-[(2-bromophenyl)methyl]triazol-4-yl]-3-(2-methoxyethyl)-1,3-thiazolidin-4-one
CID 132660638
2-[1-[(4-ethoxyphenyl)methyl]triazol-4-yl]-3-(2-methoxyethyl)-1,3-thiazolidin-4-one
CID 132654512
(2R)-2-[1-[(4-ethylphenyl)methyl]triazol-4-yl]-3-(2-methoxyethyl)-1,3-thiazolidin-4-one
CID 99964594
2-[1-[(4-bromophenyl)methyl]triazol-4-yl]-3-(2-methoxyethyl)-1,3-thiazolidin-4-one
CID 132660640
(2R)-3-benzyl-2-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-1,3-thiazolidin-4-one
CID 99964457
(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
3-(2-methoxyethyl)-2-quinolin-2-yl-1,3-thiazolidin-4-one
CID 4645389
(2R)-3-ethyl-2-[1-[(4-methylphenyl)methyl]triazol-4-yl]-1,3-thiazolidin-4-one
CID 99966098
(2R)-2-[1-[(2-bromophenyl)methyl]triazol-4-yl]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
CID 99964550
N-[(2-ethoxyphenyl)methyl]-4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide
CID 43915352
2-(3-ethoxy-4-methoxyphenyl)-3-(2-methoxyethyl)-1,3-thiazinan-4-one
CID 3600311

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[1-[(2-ethoxyphenyl)methyl]triazol-4-yl]-3-(2-methoxyethyl)-1,3-thiazolidin-4-one?
The IUPAC name of (2S)-2-[1-[(2-ethoxyphenyl)methyl]triazol-4-yl]-3-(2-methoxyethyl)-1,3-thiazolidin-4-one (CID 99964605) is (2S)-2-[1-[(2-ethoxyphenyl)methyl]triazol-4-yl]-3-(2-methoxyethyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for (2S)-2-[1-[(2-ethoxyphenyl)methyl]triazol-4-yl]-3-(2-methoxyethyl)-1,3-thiazolidin-4-one?
The canonical SMILES for (2S)-2-[1-[(2-ethoxyphenyl)methyl]triazol-4-yl]-3-(2-methoxyethyl)-1,3-thiazolidin-4-one is CCOc1ccccc1Cn1cc([C@@H]2SCC(=O)N2CCOC)nn1.
What is the InChIKey of (2S)-2-[1-[(2-ethoxyphenyl)methyl]triazol-4-yl]-3-(2-methoxyethyl)-1,3-thiazolidin-4-one?
The InChIKey is YIIMMGZOQGWEDC-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H22N4O3S/c1-3-24-15-7-5-4-6-13(15)10-20-11-14(18-19-20)17-21(8-9-23-2)16(22)12-25-17/h4-7,11,17H,3,8-10,12H2,1-2H3/t17-/m0/s1.
What are the key properties of (2S)-2-[1-[(2-ethoxyphenyl)methyl]triazol-4-yl]-3-(2-methoxyethyl)-1,3-thiazolidin-4-one?
(2S)-2-[1-[(2-ethoxyphenyl)methyl]triazol-4-yl]-3-(2-methoxyethyl)-1,3-thiazolidin-4-one has a molecular weight of 362.46 g/mol, XLogP of 1.95, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[1-[(2-ethoxyphenyl)methyl]triazol-4-yl]-3-(2-methoxyethyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 99964605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).