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

C14H10FN3OS2 — CID 3920149

IUPAC2-fluoro-N-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbothioyl)benzamide
SMILESCc1nc2sccn2c1C(=S)NC(=O)c1ccccc1F
InChIInChI=1S/C14H10FN3OS2/c1-8-11(18-6-7-21-14(18)16-8)13(20)17-12(19)9-4-2-3-5-10(9)15/h2-7H,1H3,(H,17,19,20)
InChIKeyIJJPIBWFIAPYMZ-UHFFFAOYSA-N
MW319.39 g/mol
LogP2.95
Rot. Bonds2

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

2-fluoro-N-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbothioyl)benzamide (PubChem CID 3920149) has the molecular formula C14H10FN3OS2 and a molecular weight of 319.39 g/mol. Its IUPAC name is 2-fluoro-N-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbothioyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbothioyl)benzamide
PubChem CID3920149
Molecular FormulaC14H10FN3OS2
Molecular Weight319.39 g/mol
Exact Mass319.02
IUPAC Name2-fluoro-N-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbothioyl)benzamide
SMILESCc1nc2sccn2c1C(=S)NC(=O)c1ccccc1F
InChIInChI=1S/C14H10FN3OS2/c1-8-11(18-6-7-21-14(18)16-8)13(20)17-12(19)9-4-2-3-5-10(9)15/h2-7H,1H3,(H,17,19,20)
InChIKeyIJJPIBWFIAPYMZ-UHFFFAOYSA-N
XLogP2.95
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 52.95
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 2-fluoro-N-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbothioyl)benzamide?
The IUPAC name of 2-fluoro-N-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbothioyl)benzamide (CID 3920149) is 2-fluoro-N-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbothioyl)benzamide.
What is the SMILES notation for 2-fluoro-N-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbothioyl)benzamide?
The canonical SMILES for 2-fluoro-N-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbothioyl)benzamide is Cc1nc2sccn2c1C(=S)NC(=O)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbothioyl)benzamide?
The InChIKey is IJJPIBWFIAPYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3OS2/c1-8-11(18-6-7-21-14(18)16-8)13(20)17-12(19)9-4-2-3-5-10(9)15/h2-7H,1H3,(H,17,19,20).
What are the key properties of 2-fluoro-N-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbothioyl)benzamide?
2-fluoro-N-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbothioyl)benzamide has a molecular weight of 319.39 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbothioyl)benzamide is sourced from PubChem (CID 3920149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).