1-[3-[5-ethyl-2-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl]-1-methyl-3-propan-2-ylurea

C20H31N3O3S — CID 42815417

IUPAC1-[3-[5-ethyl-2-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl]-1-methyl-3-propan-2-ylurea
SMILESCCC1SC(c2ccccc2OC)N(CCCN(C)C(=O)NC(C)C)C1=O
InChIInChI=1S/C20H31N3O3S/c1-6-17-18(24)23(13-9-12-22(4)20(25)21-14(2)3)19(27-17)15-10-7-8-11-16(15)26-5/h7-8,10-11,14,17,19H,6,9,12-13H2,1-5H3,(H,21,25)
InChIKeyPVOLESDRJIQHFV-UHFFFAOYSA-N
MW393.55 g/mol
LogP3.49
Rot. Bonds8

About 1-[3-[5-ethyl-2-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl]-1-methyl-3-propan-2-ylurea

1-[3-[5-ethyl-2-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl]-1-methyl-3-propan-2-ylurea (PubChem CID 42815417) has the molecular formula C20H31N3O3S and a molecular weight of 393.55 g/mol. Its IUPAC name is 1-[3-[5-ethyl-2-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl]-1-methyl-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[3-[5-ethyl-2-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl]-1-methyl-3-propan-2-ylurea
PubChem CID42815417
Molecular FormulaC20H31N3O3S
Molecular Weight393.55 g/mol
Exact Mass393.21
IUPAC Name1-[3-[5-ethyl-2-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl]-1-methyl-3-propan-2-ylurea
SMILESCCC1SC(c2ccccc2OC)N(CCCN(C)C(=O)NC(C)C)C1=O
InChIInChI=1S/C20H31N3O3S/c1-6-17-18(24)23(13-9-12-22(4)20(25)21-14(2)3)19(27-17)15-10-7-8-11-16(15)26-5/h7-8,10-11,14,17,19H,6,9,12-13H2,1-5H3,(H,21,25)
InChIKeyPVOLESDRJIQHFV-UHFFFAOYSA-N
XLogP3.49
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.55
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[5-ethyl-2-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl]-N-methylthiophene-2-carboxamide
CID 42815388
1-[2-[2-(2-chlorophenyl)-5-ethyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1-ethyl-3-propan-2-ylurea
CID 42815421
2-(2-methoxyphenyl)-5-methyl-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazolidin-4-one
CID 24715469
N-[2-[2-(2-methoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-2-methyl-N-propan-2-ylpropanamide
CID 42815296
3-[3-(diethylamino)propyl]-2-(2-methoxyphenyl)-1,3-thiazolidin-4-one
CID 3871093
3-[2-(2-methoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-N-(4-methylphenyl)propanamide
CID 42815127
N-[3-[5-ethyl-2-(2-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl]-N-methylpropane-1-sulfonamide
CID 42815436
3-(2-methoxyphenyl)-1-methyl-1-[2-(5-methyl-4-oxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl)ethyl]urea
CID 46137544
3-acetyl-1-[2-(dimethylamino)ethyl]-4-hydroxy-2-(2-methoxyphenyl)-2H-pyrrol-5-one
CID 3132696
1-butyl-2-(2-methoxyphenyl)-6-oxo-N-(1-phenylethyl)piperidine-3-carboxamide
CID 55406258
1-[3-(dimethylamino)propyl]-4-[hydroxy-(4-propan-2-yloxyphenyl)methylidene]-5-(2-methoxyphenyl)pyrrolidine-2,3-dione
CID 4157921
1-butyl-2-(2-methoxyphenyl)-6-oxo-N-(1-pyridin-4-ylethyl)piperidine-3-carboxamide
CID 78816437

Frequently Asked Questions

What is the IUPAC name of 1-[3-[5-ethyl-2-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl]-1-methyl-3-propan-2-ylurea?
The IUPAC name of 1-[3-[5-ethyl-2-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl]-1-methyl-3-propan-2-ylurea (CID 42815417) is 1-[3-[5-ethyl-2-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl]-1-methyl-3-propan-2-ylurea.
What is the SMILES notation for 1-[3-[5-ethyl-2-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl]-1-methyl-3-propan-2-ylurea?
The canonical SMILES for 1-[3-[5-ethyl-2-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl]-1-methyl-3-propan-2-ylurea is CCC1SC(c2ccccc2OC)N(CCCN(C)C(=O)NC(C)C)C1=O.
What is the InChIKey of 1-[3-[5-ethyl-2-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl]-1-methyl-3-propan-2-ylurea?
The InChIKey is PVOLESDRJIQHFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3S/c1-6-17-18(24)23(13-9-12-22(4)20(25)21-14(2)3)19(27-17)15-10-7-8-11-16(15)26-5/h7-8,10-11,14,17,19H,6,9,12-13H2,1-5H3,(H,21,25).
What are the key properties of 1-[3-[5-ethyl-2-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl]-1-methyl-3-propan-2-ylurea?
1-[3-[5-ethyl-2-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl]-1-methyl-3-propan-2-ylurea has a molecular weight of 393.55 g/mol, XLogP of 3.49, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[5-ethyl-2-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl]-1-methyl-3-propan-2-ylurea is sourced from PubChem (CID 42815417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).