1-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]-3-propan-2-ylimidazolidine-2,4,5-trione

C16H14ClN3O3S — CID 17436803

IUPAC1-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]-3-propan-2-ylimidazolidine-2,4,5-trione
SMILESCC(C)N1C(=O)C(=O)N(Cc2csc(-c3ccccc3Cl)n2)C1=O
InChIInChI=1S/C16H14ClN3O3S/c1-9(2)20-15(22)14(21)19(16(20)23)7-10-8-24-13(18-10)11-5-3-4-6-12(11)17/h3-6,8-9H,7H2,1-2H3
InChIKeyYZDUMRIMOKYCJN-UHFFFAOYSA-N
MW363.83 g/mol
LogP3.16
Rot. Bonds4

About 1-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]-3-propan-2-ylimidazolidine-2,4,5-trione

1-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]-3-propan-2-ylimidazolidine-2,4,5-trione (PubChem CID 17436803) has the molecular formula C16H14ClN3O3S and a molecular weight of 363.83 g/mol. Its IUPAC name is 1-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]-3-propan-2-ylimidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]-3-propan-2-ylimidazolidine-2,4,5-trione
PubChem CID17436803
Molecular FormulaC16H14ClN3O3S
Molecular Weight363.83 g/mol
Exact Mass363.04
IUPAC Name1-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]-3-propan-2-ylimidazolidine-2,4,5-trione
SMILESCC(C)N1C(=O)C(=O)N(Cc2csc(-c3ccccc3Cl)n2)C1=O
InChIInChI=1S/C16H14ClN3O3S/c1-9(2)20-15(22)14(21)19(16(20)23)7-10-8-24-13(18-10)11-5-3-4-6-12(11)17/h3-6,8-9H,7H2,1-2H3
InChIKeyYZDUMRIMOKYCJN-UHFFFAOYSA-N
XLogP3.16
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.83
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]-3-propan-2-ylimidazolidine-2,4,5-trione?
The IUPAC name of 1-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]-3-propan-2-ylimidazolidine-2,4,5-trione (CID 17436803) is 1-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]-3-propan-2-ylimidazolidine-2,4,5-trione.
What is the SMILES notation for 1-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]-3-propan-2-ylimidazolidine-2,4,5-trione?
The canonical SMILES for 1-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]-3-propan-2-ylimidazolidine-2,4,5-trione is CC(C)N1C(=O)C(=O)N(Cc2csc(-c3ccccc3Cl)n2)C1=O.
What is the InChIKey of 1-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]-3-propan-2-ylimidazolidine-2,4,5-trione?
The InChIKey is YZDUMRIMOKYCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O3S/c1-9(2)20-15(22)14(21)19(16(20)23)7-10-8-24-13(18-10)11-5-3-4-6-12(11)17/h3-6,8-9H,7H2,1-2H3.
What are the key properties of 1-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]-3-propan-2-ylimidazolidine-2,4,5-trione?
1-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]-3-propan-2-ylimidazolidine-2,4,5-trione has a molecular weight of 363.83 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]-3-propan-2-ylimidazolidine-2,4,5-trione is sourced from PubChem (CID 17436803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).