5-(4-methylphenyl)-N'-propanoylimidazo[2,1-b][1,3]thiazole-3-carbohydrazide

C16H16N4O2S — CID 164887603

IUPAC5-(4-methylphenyl)-N'-propanoylimidazo[2,1-b][1,3]thiazole-3-carbohydrazide
SMILESCCC(=O)NNC(=O)c1csc2ncc(-c3ccc(C)cc3)n12
InChIInChI=1S/C16H16N4O2S/c1-3-14(21)18-19-15(22)13-9-23-16-17-8-12(20(13)16)11-6-4-10(2)5-7-11/h4-9H,3H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyVNEUERRAUAGHGO-UHFFFAOYSA-N
MW328.40 g/mol
LogP2.54
Rot. Bonds3

About 5-(4-methylphenyl)-N'-propanoylimidazo[2,1-b][1,3]thiazole-3-carbohydrazide

5-(4-methylphenyl)-N'-propanoylimidazo[2,1-b][1,3]thiazole-3-carbohydrazide (PubChem CID 164887603) has the molecular formula C16H16N4O2S and a molecular weight of 328.40 g/mol. Its IUPAC name is 5-(4-methylphenyl)-N'-propanoylimidazo[2,1-b][1,3]thiazole-3-carbohydrazide.

Molecular Properties

Compound Name5-(4-methylphenyl)-N'-propanoylimidazo[2,1-b][1,3]thiazole-3-carbohydrazide
PubChem CID164887603
Molecular FormulaC16H16N4O2S
Molecular Weight328.40 g/mol
Exact Mass328.10
IUPAC Name5-(4-methylphenyl)-N'-propanoylimidazo[2,1-b][1,3]thiazole-3-carbohydrazide
SMILESCCC(=O)NNC(=O)c1csc2ncc(-c3ccc(C)cc3)n12
InChIInChI=1S/C16H16N4O2S/c1-3-14(21)18-19-15(22)13-9-23-16-17-8-12(20(13)16)11-6-4-10(2)5-7-11/h4-9H,3H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyVNEUERRAUAGHGO-UHFFFAOYSA-N
XLogP2.54
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-N'-propanoylimidazo[2,1-b][1,3]thiazole-3-carbohydrazide?
The IUPAC name of 5-(4-methylphenyl)-N'-propanoylimidazo[2,1-b][1,3]thiazole-3-carbohydrazide (CID 164887603) is 5-(4-methylphenyl)-N'-propanoylimidazo[2,1-b][1,3]thiazole-3-carbohydrazide.
What is the SMILES notation for 5-(4-methylphenyl)-N'-propanoylimidazo[2,1-b][1,3]thiazole-3-carbohydrazide?
The canonical SMILES for 5-(4-methylphenyl)-N'-propanoylimidazo[2,1-b][1,3]thiazole-3-carbohydrazide is CCC(=O)NNC(=O)c1csc2ncc(-c3ccc(C)cc3)n12.
What is the InChIKey of 5-(4-methylphenyl)-N'-propanoylimidazo[2,1-b][1,3]thiazole-3-carbohydrazide?
The InChIKey is VNEUERRAUAGHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S/c1-3-14(21)18-19-15(22)13-9-23-16-17-8-12(20(13)16)11-6-4-10(2)5-7-11/h4-9H,3H2,1-2H3,(H,18,21)(H,19,22).
What are the key properties of 5-(4-methylphenyl)-N'-propanoylimidazo[2,1-b][1,3]thiazole-3-carbohydrazide?
5-(4-methylphenyl)-N'-propanoylimidazo[2,1-b][1,3]thiazole-3-carbohydrazide has a molecular weight of 328.40 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-N'-propanoylimidazo[2,1-b][1,3]thiazole-3-carbohydrazide is sourced from PubChem (CID 164887603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).