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

C19H28ClN3O2S — CID 42815421

IUPAC1-[2-[2-(2-chlorophenyl)-5-ethyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1-ethyl-3-propan-2-ylurea
SMILESCCC1SC(c2ccccc2Cl)N(CCN(CC)C(=O)NC(C)C)C1=O
InChIInChI=1S/C19H28ClN3O2S/c1-5-16-17(24)23(12-11-22(6-2)19(25)21-13(3)4)18(26-16)14-9-7-8-10-15(14)20/h7-10,13,16,18H,5-6,11-12H2,1-4H3,(H,21,25)
InChIKeyLWEABMAYBCKFOO-UHFFFAOYSA-N
MW397.97 g/mol
LogP4.13
Rot. Bonds7

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

1-[2-[2-(2-chlorophenyl)-5-ethyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1-ethyl-3-propan-2-ylurea (PubChem CID 42815421) has the molecular formula C19H28ClN3O2S and a molecular weight of 397.97 g/mol. Its IUPAC name is 1-[2-[2-(2-chlorophenyl)-5-ethyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1-ethyl-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[2-[2-(2-chlorophenyl)-5-ethyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1-ethyl-3-propan-2-ylurea
PubChem CID42815421
Molecular FormulaC19H28ClN3O2S
Molecular Weight397.97 g/mol
Exact Mass397.16
IUPAC Name1-[2-[2-(2-chlorophenyl)-5-ethyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1-ethyl-3-propan-2-ylurea
SMILESCCC1SC(c2ccccc2Cl)N(CCN(CC)C(=O)NC(C)C)C1=O
InChIInChI=1S/C19H28ClN3O2S/c1-5-16-17(24)23(12-11-22(6-2)19(25)21-13(3)4)18(26-16)14-9-7-8-10-15(14)20/h7-10,13,16,18H,5-6,11-12H2,1-4H3,(H,21,25)
InChIKeyLWEABMAYBCKFOO-UHFFFAOYSA-N
XLogP4.13
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.97
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(2-chlorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-N,N-dimethylpropanamide
CID 42814398
N-[2-[2-(4-tert-butylphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-2-chloro-N-ethylbenzamide
CID 71956549
2-(2-chlorophenyl)-5-methyl-3-[3-(methylamino)propyl]-1,3-thiazolidin-4-one
CID 42795890
N-[2-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-propan-2-ylcyclobutanecarboxamide
CID 46137577
N-[2-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-methylcyclobutanecarboxamide
CID 42814526
3-[1-(2-chlorophenyl)ethyl]-1,1-diethylurea
CID 115583154
N-[3-[5-ethyl-2-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl]-N-methylthiophene-2-carboxamide
CID 42815388
methyl 2-acetamido-6-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]hexanoate
CID 3594517
(2S)-2-(2-chlorophenyl)-N-propan-2-ylazepane-1-carboxamide
CID 93076875
(2R)-2-(2-chlorophenyl)-2-[[ethyl(3-hydroxypropyl)carbamoyl]amino]acetic acid
CID 107316130
1-[[1-(4-chlorophenyl)-5-(2-methoxyphenoxy)-3-methylpyrazol-4-yl]methyl]-3-propan-2-yl-1-propylurea
CID 51069317
2-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-(2-methoxyethyl)propanamide
CID 42814932

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2-chlorophenyl)-5-ethyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1-ethyl-3-propan-2-ylurea?
The IUPAC name of 1-[2-[2-(2-chlorophenyl)-5-ethyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1-ethyl-3-propan-2-ylurea (CID 42815421) is 1-[2-[2-(2-chlorophenyl)-5-ethyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1-ethyl-3-propan-2-ylurea.
What is the SMILES notation for 1-[2-[2-(2-chlorophenyl)-5-ethyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1-ethyl-3-propan-2-ylurea?
The canonical SMILES for 1-[2-[2-(2-chlorophenyl)-5-ethyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1-ethyl-3-propan-2-ylurea is CCC1SC(c2ccccc2Cl)N(CCN(CC)C(=O)NC(C)C)C1=O.
What is the InChIKey of 1-[2-[2-(2-chlorophenyl)-5-ethyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1-ethyl-3-propan-2-ylurea?
The InChIKey is LWEABMAYBCKFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28ClN3O2S/c1-5-16-17(24)23(12-11-22(6-2)19(25)21-13(3)4)18(26-16)14-9-7-8-10-15(14)20/h7-10,13,16,18H,5-6,11-12H2,1-4H3,(H,21,25).
What are the key properties of 1-[2-[2-(2-chlorophenyl)-5-ethyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1-ethyl-3-propan-2-ylurea?
1-[2-[2-(2-chlorophenyl)-5-ethyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1-ethyl-3-propan-2-ylurea has a molecular weight of 397.97 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-chlorophenyl)-5-ethyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1-ethyl-3-propan-2-ylurea is sourced from PubChem (CID 42815421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).