3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(1,3-thiazol-2-yl)propanamide

C17H13ClN4OS2 — CID 27377178

IUPAC3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(1,3-thiazol-2-yl)propanamide
SMILESO=C(CCc1csc2nc(-c3ccc(Cl)cc3)cn12)Nc1nccs1
InChIInChI=1S/C17H13ClN4OS2/c18-12-3-1-11(2-4-12)14-9-22-13(10-25-17(22)20-14)5-6-15(23)21-16-19-7-8-24-16/h1-4,7-10H,5-6H2,(H,19,21,23)
InChIKeyKWEQKCYBCHKVFN-UHFFFAOYSA-N
MW388.91 g/mol
LogP4.74
Rot. Bonds5

About 3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(1,3-thiazol-2-yl)propanamide

3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 27377178) has the molecular formula C17H13ClN4OS2 and a molecular weight of 388.91 g/mol. Its IUPAC name is 3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(1,3-thiazol-2-yl)propanamide
PubChem CID27377178
Molecular FormulaC17H13ClN4OS2
Molecular Weight388.91 g/mol
Exact Mass388.02
IUPAC Name3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(1,3-thiazol-2-yl)propanamide
SMILESO=C(CCc1csc2nc(-c3ccc(Cl)cc3)cn12)Nc1nccs1
InChIInChI=1S/C17H13ClN4OS2/c18-12-3-1-11(2-4-12)14-9-22-13(10-25-17(22)20-14)5-6-15(23)21-16-19-7-8-24-16/h1-4,7-10H,5-6H2,(H,19,21,23)
InChIKeyKWEQKCYBCHKVFN-UHFFFAOYSA-N
XLogP4.74
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.91
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(1,3-thiazol-2-yl)propanamide (CID 27377178) is 3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(1,3-thiazol-2-yl)propanamide is O=C(CCc1csc2nc(-c3ccc(Cl)cc3)cn12)Nc1nccs1.
What is the InChIKey of 3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is KWEQKCYBCHKVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN4OS2/c18-12-3-1-11(2-4-12)14-9-22-13(10-25-17(22)20-14)5-6-15(23)21-16-19-7-8-24-16/h1-4,7-10H,5-6H2,(H,19,21,23).
What are the key properties of 3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(1,3-thiazol-2-yl)propanamide?
3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 388.91 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 27377178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).