N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-prop-2-enylacetamide

C21H21ClN4O3S — CID 41169254

IUPACN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-prop-2-enylacetamide
SMILESC=CCN(C(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O)c1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C21H21ClN4O3S/c1-3-10-25(20-23-16(12-30-20)13-4-8-15(22)9-5-13)17(27)11-26-18(28)21(2,14-6-7-14)24-19(26)29/h3-5,8-9,12,14H,1,6-7,10-11H2,2H3,(H,24,29)/t21-/m1/s1
InChIKeyCUYLWYHCTBAJLE-OAQYLSRUSA-N
MW444.94 g/mol
LogP3.70
Rot. Bonds7

About N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-prop-2-enylacetamide

N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-prop-2-enylacetamide (PubChem CID 41169254) has the molecular formula C21H21ClN4O3S and a molecular weight of 444.94 g/mol. Its IUPAC name is N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-prop-2-enylacetamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-prop-2-enylacetamide
PubChem CID41169254
Molecular FormulaC21H21ClN4O3S
Molecular Weight444.94 g/mol
Exact Mass444.10
IUPAC NameN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-prop-2-enylacetamide
SMILESC=CCN(C(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O)c1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C21H21ClN4O3S/c1-3-10-25(20-23-16(12-30-20)13-4-8-15(22)9-5-13)17(27)11-26-18(28)21(2,14-6-7-14)24-19(26)29/h3-5,8-9,12,14H,1,6-7,10-11H2,2H3,(H,24,29)/t21-/m1/s1
InChIKeyCUYLWYHCTBAJLE-OAQYLSRUSA-N
XLogP3.70
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.94
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylacetamide
CID 26212357
2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 8569722
N-benzyl-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-phenylacetamide
CID 78790776
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 8023947
4,5-dichloro-1-methyl-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylpyrrole-2-carboxamide
CID 55600754
1-benzyl-5-oxo-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylpyrrolidine-3-carboxamide
CID 18079930
2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylacetamide
CID 31955898
2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-[(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 30797356
1-acetyl-N-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]-N-prop-2-enylpiperidine-4-carboxamide
CID 39951775
trans-[2-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]-prop-2-enylamino]-2-oxoethyl] (1R,2R)-2-methylcyclopropane-1-carboxylate
CID 9230377
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylpropanamide
CID 24594408
N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-1-(2,2-dimethylpropanoyl)-N-prop-2-enylpiperidine-4-carboxamide
CID 33337361

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-prop-2-enylacetamide?
The IUPAC name of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-prop-2-enylacetamide (CID 41169254) is N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-prop-2-enylacetamide.
What is the SMILES notation for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-prop-2-enylacetamide?
The canonical SMILES for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-prop-2-enylacetamide is C=CCN(C(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O)c1nc(-c2ccc(Cl)cc2)cs1.
What is the InChIKey of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-prop-2-enylacetamide?
The InChIKey is CUYLWYHCTBAJLE-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H21ClN4O3S/c1-3-10-25(20-23-16(12-30-20)13-4-8-15(22)9-5-13)17(27)11-26-18(28)21(2,14-6-7-14)24-19(26)29/h3-5,8-9,12,14H,1,6-7,10-11H2,2H3,(H,24,29)/t21-/m1/s1.
What are the key properties of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-prop-2-enylacetamide?
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-prop-2-enylacetamide has a molecular weight of 444.94 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-prop-2-enylacetamide is sourced from PubChem (CID 41169254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).