3-benzyl-2-methylidene-4-phenyl-1,3-thiazolidin-4-ol

C17H17NOS — CID 139469582

IUPAC3-benzyl-2-methylidene-4-phenyl-1,3-thiazolidin-4-ol
SMILESC=C1SCC(O)(c2ccccc2)N1Cc1ccccc1
InChIInChI=1S/C17H17NOS/c1-14-18(12-15-8-4-2-5-9-15)17(19,13-20-14)16-10-6-3-7-11-16/h2-11,19H,1,12-13H2
InChIKeyIFEGSRVQGWUJGD-UHFFFAOYSA-N
MW283.40 g/mol
LogP3.55
Rot. Bonds3

About 3-benzyl-2-methylidene-4-phenyl-1,3-thiazolidin-4-ol

3-benzyl-2-methylidene-4-phenyl-1,3-thiazolidin-4-ol (PubChem CID 139469582) has the molecular formula C17H17NOS and a molecular weight of 283.40 g/mol. Its IUPAC name is 3-benzyl-2-methylidene-4-phenyl-1,3-thiazolidin-4-ol.

Molecular Properties

Compound Name3-benzyl-2-methylidene-4-phenyl-1,3-thiazolidin-4-ol
PubChem CID139469582
Molecular FormulaC17H17NOS
Molecular Weight283.40 g/mol
Exact Mass283.10
IUPAC Name3-benzyl-2-methylidene-4-phenyl-1,3-thiazolidin-4-ol
SMILESC=C1SCC(O)(c2ccccc2)N1Cc1ccccc1
InChIInChI=1S/C17H17NOS/c1-14-18(12-15-8-4-2-5-9-15)17(19,13-20-14)16-10-6-3-7-11-16/h2-11,19H,1,12-13H2
InChIKeyIFEGSRVQGWUJGD-UHFFFAOYSA-N
XLogP3.55
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-benzyl-2-phenyl-3H-imidazo[1,2-a]pyridin-4-ium-2-ol
CID 854640
1-benzyl-2-(4-fluorophenyl)-3,5,6,7-tetrahydroimidazo[2,1-b][1,3]thiazin-4-ium-2-ol
CID 4691141
3-ethyl-4-phenyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-ol
CID 4224550
(2R)-1-benzyl-2-(4-methylphenyl)-3H-imidazo[1,2-a]pyridin-4-ium-2-ol
CID 921271
1-benzyl-2-(4-methylphenyl)-3H-imidazo[1,2-a]pyridin-4-ium-2-ol bromide
CID 20994480
1-benzyl-3-ethyl-6-phenyl-4,7-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-1-ium-6-ol
CID 22758599
3-benzyl-4-hydroxy-2-sulfanylidene-1,3-thiazolidine-4-carboxylic acid;N-ethylethanamine
CID 21121977
cis-(1R,2S)-4-methylidene-1,2-diphenylcyclopentane-1,2-diol
CID 10967455
1-benzyl-3,3-dichloro-5-hydroxy-4,4-dimethyl-5-phenylpyrrolidin-2-one
CID 134847338
1-benzyl-2-(4-ethoxyphenyl)-3,5,6,7-tetrahydroimidazo[2,1-b][1,3]thiazin-4-ium-2-ol
CID 5054134
3-ethyl-6-phenyl-1-prop-2-enyl-4,7-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-1-ium-6-ol
CID 22758590
(2R)-1-benzyl-2-(4-methoxyphenyl)-3H-imidazo[1,2-a]pyridin-4-ium-2-ol
CID 34637337

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2-methylidene-4-phenyl-1,3-thiazolidin-4-ol?
The IUPAC name of 3-benzyl-2-methylidene-4-phenyl-1,3-thiazolidin-4-ol (CID 139469582) is 3-benzyl-2-methylidene-4-phenyl-1,3-thiazolidin-4-ol.
What is the SMILES notation for 3-benzyl-2-methylidene-4-phenyl-1,3-thiazolidin-4-ol?
The canonical SMILES for 3-benzyl-2-methylidene-4-phenyl-1,3-thiazolidin-4-ol is C=C1SCC(O)(c2ccccc2)N1Cc1ccccc1.
What is the InChIKey of 3-benzyl-2-methylidene-4-phenyl-1,3-thiazolidin-4-ol?
The InChIKey is IFEGSRVQGWUJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NOS/c1-14-18(12-15-8-4-2-5-9-15)17(19,13-20-14)16-10-6-3-7-11-16/h2-11,19H,1,12-13H2.
What are the key properties of 3-benzyl-2-methylidene-4-phenyl-1,3-thiazolidin-4-ol?
3-benzyl-2-methylidene-4-phenyl-1,3-thiazolidin-4-ol has a molecular weight of 283.40 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-methylidene-4-phenyl-1,3-thiazolidin-4-ol is sourced from PubChem (CID 139469582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).