[2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-[3-(tetrazol-1-yl)phenyl]methanone

C19H19N5O3S — CID 122330310

IUPAC[2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-[3-(tetrazol-1-yl)phenyl]methanone
SMILESCOc1ccc(OC)c(C2SCCN2C(=O)c2cccc(-n3cnnn3)c2)c1
InChIInChI=1S/C19H19N5O3S/c1-26-15-6-7-17(27-2)16(11-15)19-23(8-9-28-19)18(25)13-4-3-5-14(10-13)24-12-20-21-22-24/h3-7,10-12,19H,8-9H2,1-2H3
InChIKeyQOBLDHUIXZBHLE-UHFFFAOYSA-N
MW397.46 g/mol
LogP2.57
Rot. Bonds5

About [2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-[3-(tetrazol-1-yl)phenyl]methanone

[2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-[3-(tetrazol-1-yl)phenyl]methanone (PubChem CID 122330310) has the molecular formula C19H19N5O3S and a molecular weight of 397.46 g/mol. Its IUPAC name is [2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-[3-(tetrazol-1-yl)phenyl]methanone.

Molecular Properties

Compound Name[2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-[3-(tetrazol-1-yl)phenyl]methanone
PubChem CID122330310
Molecular FormulaC19H19N5O3S
Molecular Weight397.46 g/mol
Exact Mass397.12
IUPAC Name[2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-[3-(tetrazol-1-yl)phenyl]methanone
SMILESCOc1ccc(OC)c(C2SCCN2C(=O)c2cccc(-n3cnnn3)c2)c1
InChIInChI=1S/C19H19N5O3S/c1-26-15-6-7-17(27-2)16(11-15)19-23(8-9-28-19)18(25)13-4-3-5-14(10-13)24-12-20-21-22-24/h3-7,10-12,19H,8-9H2,1-2H3
InChIKeyQOBLDHUIXZBHLE-UHFFFAOYSA-N
XLogP2.57
TPSA82.37 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

[(2R)-2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(3-methoxyphenyl)methanone
CID 7288628
(2-methyl-1,3-thiazolidin-3-yl)-[3-(tetrazol-1-yl)phenyl]methanone
CID 122331774
[2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(4-iodophenyl)methanone
CID 122330377
[2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(2-phenyltriazol-4-yl)methanone
CID 122330259
[2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(4-ethylphenyl)methanone
CID 3343398
[2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-indolizin-2-ylmethanone
CID 122330326
(3,4-dichlorophenyl)-[(2S)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 7482183
(3,4-dimethoxyphenyl)-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 122330579
1-[(2R)-2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]butan-1-one
CID 7262533
(3,5-dichlorophenyl)-[(2S)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 7256737
2-(2,5-dimethoxyphenyl)-N-phenyl-1,3-thiazolidine-3-carboxamide
CID 3309757
[3-(trifluoromethyl)phenyl]-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 122330593

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-[3-(tetrazol-1-yl)phenyl]methanone?
The IUPAC name of [2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-[3-(tetrazol-1-yl)phenyl]methanone (CID 122330310) is [2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-[3-(tetrazol-1-yl)phenyl]methanone.
What is the SMILES notation for [2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-[3-(tetrazol-1-yl)phenyl]methanone?
The canonical SMILES for [2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-[3-(tetrazol-1-yl)phenyl]methanone is COc1ccc(OC)c(C2SCCN2C(=O)c2cccc(-n3cnnn3)c2)c1.
What is the InChIKey of [2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-[3-(tetrazol-1-yl)phenyl]methanone?
The InChIKey is QOBLDHUIXZBHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3S/c1-26-15-6-7-17(27-2)16(11-15)19-23(8-9-28-19)18(25)13-4-3-5-14(10-13)24-12-20-21-22-24/h3-7,10-12,19H,8-9H2,1-2H3.
What are the key properties of [2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-[3-(tetrazol-1-yl)phenyl]methanone?
[2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-[3-(tetrazol-1-yl)phenyl]methanone has a molecular weight of 397.46 g/mol, XLogP of 2.57, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-[3-(tetrazol-1-yl)phenyl]methanone is sourced from PubChem (CID 122330310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).