4-(2,4-dioxoimidazolidin-1-yl)-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]benzamide

C17H15N5O3S — CID 72888492

IUPAC4-(2,4-dioxoimidazolidin-1-yl)-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]benzamide
SMILESCc1csc2nc(CNC(=O)c3ccc(N4CC(=O)NC4=O)cc3)cn12
InChIInChI=1S/C17H15N5O3S/c1-10-9-26-17-19-12(7-21(10)17)6-18-15(24)11-2-4-13(5-3-11)22-8-14(23)20-16(22)25/h2-5,7,9H,6,8H2,1H3,(H,18,24)(H,20,23,25)
InChIKeyAQKQWPWDAKDYJE-UHFFFAOYSA-N
MW369.41 g/mol
LogP1.69
Rot. Bonds4

About 4-(2,4-dioxoimidazolidin-1-yl)-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]benzamide

4-(2,4-dioxoimidazolidin-1-yl)-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]benzamide (PubChem CID 72888492) has the molecular formula C17H15N5O3S and a molecular weight of 369.41 g/mol. Its IUPAC name is 4-(2,4-dioxoimidazolidin-1-yl)-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]benzamide.

Molecular Properties

Compound Name4-(2,4-dioxoimidazolidin-1-yl)-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]benzamide
PubChem CID72888492
Molecular FormulaC17H15N5O3S
Molecular Weight369.41 g/mol
Exact Mass369.09
IUPAC Name4-(2,4-dioxoimidazolidin-1-yl)-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]benzamide
SMILESCc1csc2nc(CNC(=O)c3ccc(N4CC(=O)NC4=O)cc3)cn12
InChIInChI=1S/C17H15N5O3S/c1-10-9-26-17-19-12(7-21(10)17)6-18-15(24)11-2-4-13(5-3-11)22-8-14(23)20-16(22)25/h2-5,7,9H,6,8H2,1H3,(H,18,24)(H,20,23,25)
InChIKeyAQKQWPWDAKDYJE-UHFFFAOYSA-N
XLogP1.69
TPSA95.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.41
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dioxoimidazolidin-1-yl)-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]benzamide?
The IUPAC name of 4-(2,4-dioxoimidazolidin-1-yl)-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]benzamide (CID 72888492) is 4-(2,4-dioxoimidazolidin-1-yl)-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]benzamide.
What is the SMILES notation for 4-(2,4-dioxoimidazolidin-1-yl)-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]benzamide?
The canonical SMILES for 4-(2,4-dioxoimidazolidin-1-yl)-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]benzamide is Cc1csc2nc(CNC(=O)c3ccc(N4CC(=O)NC4=O)cc3)cn12.
What is the InChIKey of 4-(2,4-dioxoimidazolidin-1-yl)-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]benzamide?
The InChIKey is AQKQWPWDAKDYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O3S/c1-10-9-26-17-19-12(7-21(10)17)6-18-15(24)11-2-4-13(5-3-11)22-8-14(23)20-16(22)25/h2-5,7,9H,6,8H2,1H3,(H,18,24)(H,20,23,25).
What are the key properties of 4-(2,4-dioxoimidazolidin-1-yl)-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]benzamide?
4-(2,4-dioxoimidazolidin-1-yl)-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]benzamide has a molecular weight of 369.41 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dioxoimidazolidin-1-yl)-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]benzamide is sourced from PubChem (CID 72888492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).