4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)morpholine-2-carbothioamide

C11H14N4OS2 — CID 115331860

IUPAC4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)morpholine-2-carbothioamide
SMILESNC(=S)C1CN(Cc2cn3ccsc3n2)CCO1
InChIInChI=1S/C11H14N4OS2/c12-10(17)9-7-14(1-3-16-9)5-8-6-15-2-4-18-11(15)13-8/h2,4,6,9H,1,3,5,7H2,(H2,12,17)
InChIKeyVETYHVJANGFAHN-UHFFFAOYSA-N
MW282.39 g/mol
LogP0.88
Rot. Bonds3

About 4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)morpholine-2-carbothioamide

4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)morpholine-2-carbothioamide (PubChem CID 115331860) has the molecular formula C11H14N4OS2 and a molecular weight of 282.39 g/mol. Its IUPAC name is 4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)morpholine-2-carbothioamide.

Molecular Properties

Compound Name4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)morpholine-2-carbothioamide
PubChem CID115331860
Molecular FormulaC11H14N4OS2
Molecular Weight282.39 g/mol
Exact Mass282.06
IUPAC Name4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)morpholine-2-carbothioamide
SMILESNC(=S)C1CN(Cc2cn3ccsc3n2)CCO1
InChIInChI=1S/C11H14N4OS2/c12-10(17)9-7-14(1-3-16-9)5-8-6-15-2-4-18-11(15)13-8/h2,4,6,9H,1,3,5,7H2,(H2,12,17)
InChIKeyVETYHVJANGFAHN-UHFFFAOYSA-N
XLogP0.88
TPSA55.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)morpholine-2-carbothioamide 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-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)morpholine;hydrobromide
CID 6602914
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)azetidin-3-amine
CID 115332589
4-[(1-methyltriazol-4-yl)methyl]morpholine-2-carbothioamide
CID 107042983
[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-3-yl]methanamine
CID 113288904
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(4-propan-2-ylmorpholin-2-yl)ethanone
CID 115333201
6-[[(3R)-3-methylpiperazin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole
CID 104975458
4-(pyridin-2-ylmethyl)morpholine-2-carbothioamide
CID 79680850
(2S)-1-[(2S)-2-ethyl-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazin-1-yl]propan-2-ol
CID 98767333
2-[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1,4-diazepan-1-yl]ethanol
CID 115334182
4-[(1-ethylpyrazol-4-yl)methyl]morpholine-2-carbothioamide
CID 79681565
6-[(3-tert-butyl-1,4-diazepan-1-yl)methyl]imidazo[2,1-b][1,3]thiazole
CID 115334931
2-(2-carbamothioylmorpholin-4-yl)acetamide
CID 79680931

Frequently Asked Questions

What is the IUPAC name of 4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)morpholine-2-carbothioamide?
The IUPAC name of 4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)morpholine-2-carbothioamide (CID 115331860) is 4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)morpholine-2-carbothioamide.
What is the SMILES notation for 4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)morpholine-2-carbothioamide?
The canonical SMILES for 4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)morpholine-2-carbothioamide is NC(=S)C1CN(Cc2cn3ccsc3n2)CCO1.
What is the InChIKey of 4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)morpholine-2-carbothioamide?
The InChIKey is VETYHVJANGFAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4OS2/c12-10(17)9-7-14(1-3-16-9)5-8-6-15-2-4-18-11(15)13-8/h2,4,6,9H,1,3,5,7H2,(H2,12,17).
What are the key properties of 4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)morpholine-2-carbothioamide?
4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)morpholine-2-carbothioamide has a molecular weight of 282.39 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)morpholine-2-carbothioamide is sourced from PubChem (CID 115331860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).