1-[2-[(2-hydroxyphenoxy)methyl]-1,3-thiazolidin-3-yl]-2-imidazol-1-ylethanone

C15H17N3O3S — CID 10448637

IUPAC1-[2-[(2-hydroxyphenoxy)methyl]-1,3-thiazolidin-3-yl]-2-imidazol-1-ylethanone
SMILESO=C(Cn1ccnc1)N1CCSC1COc1ccccc1O
InChIInChI=1S/C15H17N3O3S/c19-12-3-1-2-4-13(12)21-10-15-18(7-8-22-15)14(20)9-17-6-5-16-11-17/h1-6,11,15,19H,7-10H2
InChIKeyQHWGJJAMAUXVNT-UHFFFAOYSA-N
MW319.39 g/mol
LogP1.57
Rot. Bonds5

About 1-[2-[(2-hydroxyphenoxy)methyl]-1,3-thiazolidin-3-yl]-2-imidazol-1-ylethanone

1-[2-[(2-hydroxyphenoxy)methyl]-1,3-thiazolidin-3-yl]-2-imidazol-1-ylethanone (PubChem CID 10448637) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is 1-[2-[(2-hydroxyphenoxy)methyl]-1,3-thiazolidin-3-yl]-2-imidazol-1-ylethanone.

Molecular Properties

Compound Name1-[2-[(2-hydroxyphenoxy)methyl]-1,3-thiazolidin-3-yl]-2-imidazol-1-ylethanone
PubChem CID10448637
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC Name1-[2-[(2-hydroxyphenoxy)methyl]-1,3-thiazolidin-3-yl]-2-imidazol-1-ylethanone
SMILESO=C(Cn1ccnc1)N1CCSC1COc1ccccc1O
InChIInChI=1S/C15H17N3O3S/c19-12-3-1-2-4-13(12)21-10-15-18(7-8-22-15)14(20)9-17-6-5-16-11-17/h1-6,11,15,19H,7-10H2
InChIKeyQHWGJJAMAUXVNT-UHFFFAOYSA-N
XLogP1.57
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-hydroxyphenoxy)methyl]-1,3-thiazolidin-3-yl]-2-imidazol-1-ylethanone?
The IUPAC name of 1-[2-[(2-hydroxyphenoxy)methyl]-1,3-thiazolidin-3-yl]-2-imidazol-1-ylethanone (CID 10448637) is 1-[2-[(2-hydroxyphenoxy)methyl]-1,3-thiazolidin-3-yl]-2-imidazol-1-ylethanone.
What is the SMILES notation for 1-[2-[(2-hydroxyphenoxy)methyl]-1,3-thiazolidin-3-yl]-2-imidazol-1-ylethanone?
The canonical SMILES for 1-[2-[(2-hydroxyphenoxy)methyl]-1,3-thiazolidin-3-yl]-2-imidazol-1-ylethanone is O=C(Cn1ccnc1)N1CCSC1COc1ccccc1O.
What is the InChIKey of 1-[2-[(2-hydroxyphenoxy)methyl]-1,3-thiazolidin-3-yl]-2-imidazol-1-ylethanone?
The InChIKey is QHWGJJAMAUXVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S/c19-12-3-1-2-4-13(12)21-10-15-18(7-8-22-15)14(20)9-17-6-5-16-11-17/h1-6,11,15,19H,7-10H2.
What are the key properties of 1-[2-[(2-hydroxyphenoxy)methyl]-1,3-thiazolidin-3-yl]-2-imidazol-1-ylethanone?
1-[2-[(2-hydroxyphenoxy)methyl]-1,3-thiazolidin-3-yl]-2-imidazol-1-ylethanone has a molecular weight of 319.39 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-hydroxyphenoxy)methyl]-1,3-thiazolidin-3-yl]-2-imidazol-1-ylethanone is sourced from PubChem (CID 10448637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).