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

C16H15N3OS2 — CID 5141028

IUPAC3,5-dimethyl-N-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbothioyl)benzamide
SMILESCc1cc(C)cc(C(=O)NC(=S)c2c(C)nc3sccn23)c1
InChIInChI=1S/C16H15N3OS2/c1-9-6-10(2)8-12(7-9)14(20)18-15(21)13-11(3)17-16-19(13)4-5-22-16/h4-8H,1-3H3,(H,18,20,21)
InChIKeyPVAONIJPFQUPPA-UHFFFAOYSA-N
MW329.45 g/mol
LogP3.43
Rot. Bonds2

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

3,5-dimethyl-N-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbothioyl)benzamide (PubChem CID 5141028) has the molecular formula C16H15N3OS2 and a molecular weight of 329.45 g/mol. Its IUPAC name is 3,5-dimethyl-N-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbothioyl)benzamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbothioyl)benzamide
PubChem CID5141028
Molecular FormulaC16H15N3OS2
Molecular Weight329.45 g/mol
Exact Mass329.07
IUPAC Name3,5-dimethyl-N-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbothioyl)benzamide
SMILESCc1cc(C)cc(C(=O)NC(=S)c2c(C)nc3sccn23)c1
InChIInChI=1S/C16H15N3OS2/c1-9-6-10(2)8-12(7-9)14(20)18-15(21)13-11(3)17-16-19(13)4-5-22-16/h4-8H,1-3H3,(H,18,20,21)
InChIKeyPVAONIJPFQUPPA-UHFFFAOYSA-N
XLogP3.43
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 3,5-dimethyl-N-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbothioyl)benzamide?
The IUPAC name of 3,5-dimethyl-N-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbothioyl)benzamide (CID 5141028) is 3,5-dimethyl-N-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbothioyl)benzamide.
What is the SMILES notation for 3,5-dimethyl-N-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbothioyl)benzamide?
The canonical SMILES for 3,5-dimethyl-N-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbothioyl)benzamide is Cc1cc(C)cc(C(=O)NC(=S)c2c(C)nc3sccn23)c1.
What is the InChIKey of 3,5-dimethyl-N-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbothioyl)benzamide?
The InChIKey is PVAONIJPFQUPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS2/c1-9-6-10(2)8-12(7-9)14(20)18-15(21)13-11(3)17-16-19(13)4-5-22-16/h4-8H,1-3H3,(H,18,20,21).
What are the key properties of 3,5-dimethyl-N-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbothioyl)benzamide?
3,5-dimethyl-N-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbothioyl)benzamide has a molecular weight of 329.45 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbothioyl)benzamide is sourced from PubChem (CID 5141028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).