N-(4-tert-butyl-1,3-thiazol-2-yl)-3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanamide

C19H21ClN4O3S — CID 167837601

IUPACN-(4-tert-butyl-1,3-thiazol-2-yl)-3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanamide
SMILESCC(C)(C)c1csc(NC(=O)CCC2NC(=O)N(c3ccc(Cl)cc3)C2=O)n1
InChIInChI=1S/C19H21ClN4O3S/c1-19(2,3)14-10-28-17(22-14)23-15(25)9-8-13-16(26)24(18(27)21-13)12-6-4-11(20)5-7-12/h4-7,10,13H,8-9H2,1-3H3,(H,21,27)(H,22,23,25)
InChIKeyFBQBWSIERZNQAQ-UHFFFAOYSA-N
MW420.92 g/mol
LogP3.94
Rot. Bonds5

About N-(4-tert-butyl-1,3-thiazol-2-yl)-3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanamide

N-(4-tert-butyl-1,3-thiazol-2-yl)-3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanamide (PubChem CID 167837601) has the molecular formula C19H21ClN4O3S and a molecular weight of 420.92 g/mol. Its IUPAC name is N-(4-tert-butyl-1,3-thiazol-2-yl)-3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanamide.

Molecular Properties

Compound NameN-(4-tert-butyl-1,3-thiazol-2-yl)-3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanamide
PubChem CID167837601
Molecular FormulaC19H21ClN4O3S
Molecular Weight420.92 g/mol
Exact Mass420.10
IUPAC NameN-(4-tert-butyl-1,3-thiazol-2-yl)-3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanamide
SMILESCC(C)(C)c1csc(NC(=O)CCC2NC(=O)N(c3ccc(Cl)cc3)C2=O)n1
InChIInChI=1S/C19H21ClN4O3S/c1-19(2,3)14-10-28-17(22-14)23-15(25)9-8-13-16(26)24(18(27)21-13)12-6-4-11(20)5-7-12/h4-7,10,13H,8-9H2,1-3H3,(H,21,27)(H,22,23,25)
InChIKeyFBQBWSIERZNQAQ-UHFFFAOYSA-N
XLogP3.94
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.92
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanamide?
The IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanamide (CID 167837601) is N-(4-tert-butyl-1,3-thiazol-2-yl)-3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanamide.
What is the SMILES notation for N-(4-tert-butyl-1,3-thiazol-2-yl)-3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanamide?
The canonical SMILES for N-(4-tert-butyl-1,3-thiazol-2-yl)-3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanamide is CC(C)(C)c1csc(NC(=O)CCC2NC(=O)N(c3ccc(Cl)cc3)C2=O)n1.
What is the InChIKey of N-(4-tert-butyl-1,3-thiazol-2-yl)-3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanamide?
The InChIKey is FBQBWSIERZNQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O3S/c1-19(2,3)14-10-28-17(22-14)23-15(25)9-8-13-16(26)24(18(27)21-13)12-6-4-11(20)5-7-12/h4-7,10,13H,8-9H2,1-3H3,(H,21,27)(H,22,23,25).
What are the key properties of N-(4-tert-butyl-1,3-thiazol-2-yl)-3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanamide?
N-(4-tert-butyl-1,3-thiazol-2-yl)-3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanamide has a molecular weight of 420.92 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-1,3-thiazol-2-yl)-3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanamide is sourced from PubChem (CID 167837601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).