2-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-5-(3-methoxyphenyl)furan-3,4-diol

C14H17NO6S — CID 90083619

IUPAC2-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-5-(3-methoxyphenyl)furan-3,4-diol
SMILESCOc1cccc(-c2oc(N3CCCS3(O)O)c(O)c2O)c1
InChIInChI=1S/C14H17NO6S/c1-20-10-5-2-4-9(8-10)13-11(16)12(17)14(21-13)15-6-3-7-22(15,18)19/h2,4-5,8,16-19H,3,6-7H2,1H3
InChIKeyPOIDRLBOZVWOQC-UHFFFAOYSA-N
MW327.36 g/mol
LogP3.24
Rot. Bonds3

About 2-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-5-(3-methoxyphenyl)furan-3,4-diol

2-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-5-(3-methoxyphenyl)furan-3,4-diol (PubChem CID 90083619) has the molecular formula C14H17NO6S and a molecular weight of 327.36 g/mol. Its IUPAC name is 2-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-5-(3-methoxyphenyl)furan-3,4-diol.

Molecular Properties

Compound Name2-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-5-(3-methoxyphenyl)furan-3,4-diol
PubChem CID90083619
Molecular FormulaC14H17NO6S
Molecular Weight327.36 g/mol
Exact Mass327.08
IUPAC Name2-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-5-(3-methoxyphenyl)furan-3,4-diol
SMILESCOc1cccc(-c2oc(N3CCCS3(O)O)c(O)c2O)c1
InChIInChI=1S/C14H17NO6S/c1-20-10-5-2-4-9(8-10)13-11(16)12(17)14(21-13)15-6-3-7-22(15,18)19/h2,4-5,8,16-19H,3,6-7H2,1H3
InChIKeyPOIDRLBOZVWOQC-UHFFFAOYSA-N
XLogP3.24
TPSA106.53 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 53.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 2-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-5-(3-methoxyphenyl)furan-3,4-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-5-(furan-2-yl)-4-hydroxyfuran-3-yl] acetate
CID 90083552
ethyl N-[3,4-dihydroxy-5-(3-methoxyphenyl)furan-2-yl]carbamate
CID 90081283
[5-(3,4-dimethoxyphenyl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-hydroxyfuran-3-yl] acetate
CID 90083669
azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762
1-[4-(3-methoxyphenyl)phenyl]pyrrolidine
CID 168512705
2,3,5,6-tetrakis(3-methoxyphenyl)pyrazine
CID 132941107
5-methoxy-3-(3-methoxyphenyl)benzene-1,2-diol
CID 67689440
2-hydroxy-5-(3-methoxyphenyl)benzoic acid
CID 4564140
[2-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-4-hydroxy-5-(1,3-thiazol-2-yl)furan-3-yl] acetate
CID 136501266
[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 110391856
2-fluoro-6-(3-methoxyphenyl)phenol
CID 171109408

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-5-(3-methoxyphenyl)furan-3,4-diol?
The IUPAC name of 2-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-5-(3-methoxyphenyl)furan-3,4-diol (CID 90083619) is 2-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-5-(3-methoxyphenyl)furan-3,4-diol.
What is the SMILES notation for 2-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-5-(3-methoxyphenyl)furan-3,4-diol?
The canonical SMILES for 2-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-5-(3-methoxyphenyl)furan-3,4-diol is COc1cccc(-c2oc(N3CCCS3(O)O)c(O)c2O)c1.
What is the InChIKey of 2-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-5-(3-methoxyphenyl)furan-3,4-diol?
The InChIKey is POIDRLBOZVWOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO6S/c1-20-10-5-2-4-9(8-10)13-11(16)12(17)14(21-13)15-6-3-7-22(15,18)19/h2,4-5,8,16-19H,3,6-7H2,1H3.
What are the key properties of 2-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-5-(3-methoxyphenyl)furan-3,4-diol?
2-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-5-(3-methoxyphenyl)furan-3,4-diol has a molecular weight of 327.36 g/mol, XLogP of 3.24, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-5-(3-methoxyphenyl)furan-3,4-diol is sourced from PubChem (CID 90083619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).