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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Amino-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-6-methyl-1,2,4-triazin-5-one
CID 2999842
N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]acetamide
CID 5310391
N-cyclohexyl-6-methyl-imidazo[2,1-b]thiazole-5-carboxamide
CID 126471433
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)acetamide
CID 3502401
6-Methylimidazo[2,1-b][1,3]thiazole-5-carbothioamide
CID 16790119
N-methyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 167991331
2,2,2-trifluoro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)acetamide
CID 1220014
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,2-dimethylpropanamide
CID 6623624
2-[(Imidazo[2,1-b][1,3]thiazol-6-ylmethyl)sulfanyl]-6-methyl-4-pyrimidinol
CID 135443248
6-Methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 333032
Methyl((6-methylimidazo(2,1-b)(1,3)thiazol-5-yl)methyl)amine dihydrochloride
CID 50988377
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)butanamide
CID 6623495

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).