[3-[2-(1-methoxyethyl)-5-methylphenyl]-4-oxo-1,3-thiazolidin-2-ylidene]urea

C14H17N3O3S — CID 163283598

IUPAC[3-[2-(1-methoxyethyl)-5-methylphenyl]-4-oxo-1,3-thiazolidin-2-ylidene]urea
SMILESCOC(C)c1ccc(C)cc1N1C(=O)CSC1=NC(N)=O
InChIInChI=1S/C14H17N3O3S/c1-8-4-5-10(9(2)20-3)11(6-8)17-12(18)7-21-14(17)16-13(15)19/h4-6,9H,7H2,1-3H3,(H2,15,19)
InChIKeyQIYBIEVKRRJCGH-UHFFFAOYSA-N
MW307.38 g/mol
LogP2.22
Rot. Bonds3

About [3-[2-(1-methoxyethyl)-5-methylphenyl]-4-oxo-1,3-thiazolidin-2-ylidene]urea

[3-[2-(1-methoxyethyl)-5-methylphenyl]-4-oxo-1,3-thiazolidin-2-ylidene]urea (PubChem CID 163283598) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is [3-[2-(1-methoxyethyl)-5-methylphenyl]-4-oxo-1,3-thiazolidin-2-ylidene]urea.

Molecular Properties

Compound Name[3-[2-(1-methoxyethyl)-5-methylphenyl]-4-oxo-1,3-thiazolidin-2-ylidene]urea
PubChem CID163283598
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Name[3-[2-(1-methoxyethyl)-5-methylphenyl]-4-oxo-1,3-thiazolidin-2-ylidene]urea
SMILESCOC(C)c1ccc(C)cc1N1C(=O)CSC1=NC(N)=O
InChIInChI=1S/C14H17N3O3S/c1-8-4-5-10(9(2)20-3)11(6-8)17-12(18)7-21-14(17)16-13(15)19/h4-6,9H,7H2,1-3H3,(H2,15,19)
InChIKeyQIYBIEVKRRJCGH-UHFFFAOYSA-N
XLogP2.22
TPSA84.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'rhod_sat_C(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(1Z)-1-[3-(5-methyl-2-propan-2-ylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-3-propan-2-ylurea
CID 170761976
methoxy-[4-[[3-(5-methyl-2-propan-2-ylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]carbamoyloxy]phenyl]-oxoazanium
CID 123239953
[4-(hydroxyamino)phenyl] (NZ)-N-[3-(5-methyl-2-propan-2-ylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]carbamate
CID 144727669
(1Z)-1-[3-[2-(1-methoxyethyl)-5-methylphenyl]-4-oxo-1,3-thiazolidin-2-ylidene]-3-[2-methyl-4-[1-[4-(pentafluoro-λ6-sulfanyl)phenyl]imidazol-4-yl]phenyl]urea
CID 163283609
(1Z)-1-[3-[2-(1-methoxyethyl)-5-methylphenyl]-4-oxo-1,3-thiazolidin-2-ylidene]-3-[4-[1-[5-(trifluoromethyl)-2-pyridinyl]imidazol-4-yl]phenyl]urea
CID 155581364
(1Z)-1-[3-(5-methyl-2-propan-2-ylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-3-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]urea
CID 154675736
2-imino-3-[2-(1-methoxyethyl)-4-methylphenyl]-1,3-thiazolidin-4-one
CID 155581327
(2Z)-2-[(E)-ethylidenehydrazinylidene]-3-(5-methyl-2-propan-2-ylphenyl)-1,3-thiazolidin-4-one
CID 166930789
(3Z)-1-[2-fluoro-4-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]-3-[3-[2-(1-methoxyethyl)-5-methylphenyl]-4-oxo-1,3-thiazolidin-2-ylidene]urea
CID 155580917
1-[3-(5-methyl-2-propan-2-ylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-3-[4-[[4-(trifluoromethoxy)phenyl]carbamothioylamino]phenyl]urea
CID 171926225
3-[2-(1-ethoxyethyl)-5-methylphenyl]-2-imino-1,3-thiazolidin-4-one
CID 155581450
2-imino-3-(5-methyl-2-propan-2-ylphenyl)-1,3-thiazolidin-4-one
CID 90404131

Frequently Asked Questions

What is the IUPAC name of [3-[2-(1-methoxyethyl)-5-methylphenyl]-4-oxo-1,3-thiazolidin-2-ylidene]urea?
The IUPAC name of [3-[2-(1-methoxyethyl)-5-methylphenyl]-4-oxo-1,3-thiazolidin-2-ylidene]urea (CID 163283598) is [3-[2-(1-methoxyethyl)-5-methylphenyl]-4-oxo-1,3-thiazolidin-2-ylidene]urea.
What is the SMILES notation for [3-[2-(1-methoxyethyl)-5-methylphenyl]-4-oxo-1,3-thiazolidin-2-ylidene]urea?
The canonical SMILES for [3-[2-(1-methoxyethyl)-5-methylphenyl]-4-oxo-1,3-thiazolidin-2-ylidene]urea is COC(C)c1ccc(C)cc1N1C(=O)CSC1=NC(N)=O.
What is the InChIKey of [3-[2-(1-methoxyethyl)-5-methylphenyl]-4-oxo-1,3-thiazolidin-2-ylidene]urea?
The InChIKey is QIYBIEVKRRJCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-8-4-5-10(9(2)20-3)11(6-8)17-12(18)7-21-14(17)16-13(15)19/h4-6,9H,7H2,1-3H3,(H2,15,19).
What are the key properties of [3-[2-(1-methoxyethyl)-5-methylphenyl]-4-oxo-1,3-thiazolidin-2-ylidene]urea?
[3-[2-(1-methoxyethyl)-5-methylphenyl]-4-oxo-1,3-thiazolidin-2-ylidene]urea has a molecular weight of 307.38 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(1-methoxyethyl)-5-methylphenyl]-4-oxo-1,3-thiazolidin-2-ylidene]urea is sourced from PubChem (CID 163283598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).