2-methoxy-N-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbothioyl)benzamide

C15H13N3O2S2 — CID 4839454

IUPAC2-methoxy-N-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbothioyl)benzamide
SMILESCOc1ccccc1C(=O)NC(=S)c1c(C)nc2sccn12
InChIInChI=1S/C15H13N3O2S2/c1-9-12(18-7-8-22-15(18)16-9)14(21)17-13(19)10-5-3-4-6-11(10)20-2/h3-8H,1-2H3,(H,17,19,21)
InChIKeyOSLYKUIBJJFXRV-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.82
Rot. Bonds3

About 2-methoxy-N-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbothioyl)benzamide

2-methoxy-N-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbothioyl)benzamide (PubChem CID 4839454) has the molecular formula C15H13N3O2S2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 2-methoxy-N-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbothioyl)benzamide.

Molecular Properties

Compound Name2-methoxy-N-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbothioyl)benzamide
PubChem CID4839454
Molecular FormulaC15H13N3O2S2
Molecular Weight331.42 g/mol
Exact Mass331.04
IUPAC Name2-methoxy-N-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbothioyl)benzamide
SMILESCOc1ccccc1C(=O)NC(=S)c1c(C)nc2sccn12
InChIInChI=1S/C15H13N3O2S2/c1-9-12(18-7-8-22-15(18)16-9)14(21)17-13(19)10-5-3-4-6-11(10)20-2/h3-8H,1-2H3,(H,17,19,21)
InChIKeyOSLYKUIBJJFXRV-UHFFFAOYSA-N
XLogP2.82
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbothioyl)benzamide?
The IUPAC name of 2-methoxy-N-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbothioyl)benzamide (CID 4839454) is 2-methoxy-N-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbothioyl)benzamide.
What is the SMILES notation for 2-methoxy-N-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbothioyl)benzamide?
The canonical SMILES for 2-methoxy-N-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbothioyl)benzamide is COc1ccccc1C(=O)NC(=S)c1c(C)nc2sccn12.
What is the InChIKey of 2-methoxy-N-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbothioyl)benzamide?
The InChIKey is OSLYKUIBJJFXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S2/c1-9-12(18-7-8-22-15(18)16-9)14(21)17-13(19)10-5-3-4-6-11(10)20-2/h3-8H,1-2H3,(H,17,19,21).
What are the key properties of 2-methoxy-N-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbothioyl)benzamide?
2-methoxy-N-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbothioyl)benzamide has a molecular weight of 331.42 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbothioyl)benzamide is sourced from PubChem (CID 4839454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).