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

C10H11N3OS2 — CID 4539981

IUPACN-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbothioyl)propanamide
SMILESCCC(=O)NC(=S)c1c(C)nc2sccn12
InChIInChI=1S/C10H11N3OS2/c1-3-7(14)12-9(15)8-6(2)11-10-13(8)4-5-16-10/h4-5H,3H2,1-2H3,(H,12,14,15)
InChIKeyWDDGCXWILZQISF-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.91
Rot. Bonds2

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

N-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbothioyl)propanamide (PubChem CID 4539981) has the molecular formula C10H11N3OS2 and a molecular weight of 253.35 g/mol. Its IUPAC name is N-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbothioyl)propanamide.

Molecular Properties

Compound NameN-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbothioyl)propanamide
PubChem CID4539981
Molecular FormulaC10H11N3OS2
Molecular Weight253.35 g/mol
Exact Mass253.03
IUPAC NameN-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbothioyl)propanamide
SMILESCCC(=O)NC(=S)c1c(C)nc2sccn12
InChIInChI=1S/C10H11N3OS2/c1-3-7(14)12-9(15)8-6(2)11-10-13(8)4-5-16-10/h4-5H,3H2,1-2H3,(H,12,14,15)
InChIKeyWDDGCXWILZQISF-UHFFFAOYSA-N
XLogP1.91
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.91
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 N-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbothioyl)propanamide?
The IUPAC name of N-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbothioyl)propanamide (CID 4539981) is N-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbothioyl)propanamide.
What is the SMILES notation for N-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbothioyl)propanamide?
The canonical SMILES for N-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbothioyl)propanamide is CCC(=O)NC(=S)c1c(C)nc2sccn12.
What is the InChIKey of N-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbothioyl)propanamide?
The InChIKey is WDDGCXWILZQISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3OS2/c1-3-7(14)12-9(15)8-6(2)11-10-13(8)4-5-16-10/h4-5H,3H2,1-2H3,(H,12,14,15).
What are the key properties of N-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbothioyl)propanamide?
N-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbothioyl)propanamide has a molecular weight of 253.35 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbothioyl)propanamide is sourced from PubChem (CID 4539981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).