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

C15H17BrN4O2S — CID 132660640

IUPAC2-[1-[(4-bromophenyl)methyl]triazol-4-yl]-3-(2-methoxyethyl)-1,3-thiazolidin-4-one
SMILESCOCCN1C(=O)CSC1c1cn(Cc2ccc(Br)cc2)nn1
InChIInChI=1S/C15H17BrN4O2S/c1-22-7-6-20-14(21)10-23-15(20)13-9-19(18-17-13)8-11-2-4-12(16)5-3-11/h2-5,9,15H,6-8,10H2,1H3
InChIKeyJIBBZEDLPPQRNB-UHFFFAOYSA-N
MW397.30 g/mol
LogP2.31
Rot. Bonds6

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

2-[1-[(4-bromophenyl)methyl]triazol-4-yl]-3-(2-methoxyethyl)-1,3-thiazolidin-4-one (PubChem CID 132660640) has the molecular formula C15H17BrN4O2S and a molecular weight of 397.30 g/mol. Its IUPAC name is 2-[1-[(4-bromophenyl)methyl]triazol-4-yl]-3-(2-methoxyethyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[1-[(4-bromophenyl)methyl]triazol-4-yl]-3-(2-methoxyethyl)-1,3-thiazolidin-4-one
PubChem CID132660640
Molecular FormulaC15H17BrN4O2S
Molecular Weight397.30 g/mol
Exact Mass396.03
IUPAC Name2-[1-[(4-bromophenyl)methyl]triazol-4-yl]-3-(2-methoxyethyl)-1,3-thiazolidin-4-one
SMILESCOCCN1C(=O)CSC1c1cn(Cc2ccc(Br)cc2)nn1
InChIInChI=1S/C15H17BrN4O2S/c1-22-7-6-20-14(21)10-23-15(20)13-9-19(18-17-13)8-11-2-4-12(16)5-3-11/h2-5,9,15H,6-8,10H2,1H3
InChIKeyJIBBZEDLPPQRNB-UHFFFAOYSA-N
XLogP2.31
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.30
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-[1-[(4-ethylphenyl)methyl]triazol-4-yl]-3-(2-methoxyethyl)-1,3-thiazolidin-4-one
CID 99964594
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-bromophenyl)pyrrol-3-yl]-3-(2-methoxyethyl)-1,3-thiazolidin-4-one
CID 132657219
(2R)-3-benzyl-2-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-1,3-thiazolidin-4-one
CID 99964457
(2S)-3-(furan-2-ylmethyl)-2-[1-[(4-methylphenyl)methyl]triazol-4-yl]-1,3-thiazolidin-4-one
CID 99964515
3-(2-methoxyethyl)-2-quinolin-2-yl-1,3-thiazolidin-4-one
CID 4645389
(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 2-[1-[(4-bromophenyl)methyl]triazol-4-yl]-3-(2-methoxyethyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-[1-[(4-bromophenyl)methyl]triazol-4-yl]-3-(2-methoxyethyl)-1,3-thiazolidin-4-one (CID 132660640) is 2-[1-[(4-bromophenyl)methyl]triazol-4-yl]-3-(2-methoxyethyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[1-[(4-bromophenyl)methyl]triazol-4-yl]-3-(2-methoxyethyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[1-[(4-bromophenyl)methyl]triazol-4-yl]-3-(2-methoxyethyl)-1,3-thiazolidin-4-one is COCCN1C(=O)CSC1c1cn(Cc2ccc(Br)cc2)nn1.
What is the InChIKey of 2-[1-[(4-bromophenyl)methyl]triazol-4-yl]-3-(2-methoxyethyl)-1,3-thiazolidin-4-one?
The InChIKey is JIBBZEDLPPQRNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN4O2S/c1-22-7-6-20-14(21)10-23-15(20)13-9-19(18-17-13)8-11-2-4-12(16)5-3-11/h2-5,9,15H,6-8,10H2,1H3.
What are the key properties of 2-[1-[(4-bromophenyl)methyl]triazol-4-yl]-3-(2-methoxyethyl)-1,3-thiazolidin-4-one?
2-[1-[(4-bromophenyl)methyl]triazol-4-yl]-3-(2-methoxyethyl)-1,3-thiazolidin-4-one has a molecular weight of 397.30 g/mol, XLogP of 2.31, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-bromophenyl)methyl]triazol-4-yl]-3-(2-methoxyethyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 132660640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).