4-[6-(5-chlorothiophen-2-yl)imidazo[2,1-b][1,3]thiazol-3-yl]butanoic acid

C13H11ClN2O2S2 — CID 80661712

IUPAC4-[6-(5-chlorothiophen-2-yl)imidazo[2,1-b][1,3]thiazol-3-yl]butanoic acid
SMILESO=C(O)CCCc1csc2nc(-c3ccc(Cl)s3)cn12
InChIInChI=1S/C13H11ClN2O2S2/c14-11-5-4-10(20-11)9-6-16-8(2-1-3-12(17)18)7-19-13(16)15-9/h4-7H,1-3H2,(H,17,18)
InChIKeyHNWWWTSEKJQHEB-UHFFFAOYSA-N
MW326.83 g/mol
LogP4.18
Rot. Bonds5

About 4-[6-(5-chlorothiophen-2-yl)imidazo[2,1-b][1,3]thiazol-3-yl]butanoic acid

4-[6-(5-chlorothiophen-2-yl)imidazo[2,1-b][1,3]thiazol-3-yl]butanoic acid (PubChem CID 80661712) has the molecular formula C13H11ClN2O2S2 and a molecular weight of 326.83 g/mol. Its IUPAC name is 4-[6-(5-chlorothiophen-2-yl)imidazo[2,1-b][1,3]thiazol-3-yl]butanoic acid.

Molecular Properties

Compound Name4-[6-(5-chlorothiophen-2-yl)imidazo[2,1-b][1,3]thiazol-3-yl]butanoic acid
PubChem CID80661712
Molecular FormulaC13H11ClN2O2S2
Molecular Weight326.83 g/mol
Exact Mass326.00
IUPAC Name4-[6-(5-chlorothiophen-2-yl)imidazo[2,1-b][1,3]thiazol-3-yl]butanoic acid
SMILESO=C(O)CCCc1csc2nc(-c3ccc(Cl)s3)cn12
InChIInChI=1S/C13H11ClN2O2S2/c14-11-5-4-10(20-11)9-6-16-8(2-1-3-12(17)18)7-19-13(16)15-9/h4-7H,1-3H2,(H,17,18)
InChIKeyHNWWWTSEKJQHEB-UHFFFAOYSA-N
XLogP4.18
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.83
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[6-(3-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]butanoic acid
CID 80655201
4-[6-(2,5-dimethylfuran-3-yl)imidazo[2,1-b][1,3]thiazol-3-yl]butanoic acid
CID 80655203
4-[6-(methoxymethyl)imidazo[2,1-b][1,3]thiazol-3-yl]butanoic acid
CID 107508269
2-[6-(5-ethylthiophen-2-yl)imidazo[2,1-b][1,3]thiazol-3-yl]acetic acid
CID 61334961
3-(6-cyclopentylimidazo[2,1-b][1,3]thiazol-3-yl)propanoic acid
CID 113449070
3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(2-phenylethyl)propanamide
CID 27377169
3-[6-(methoxymethyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanoic acid
CID 107508384
4-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]butan-2-one
CID 94281595
3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 30939691
N-benzyl-N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]tetradecanamide
CID 42793104
3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)-N-prop-2-enylpropanamide
CID 30939255
4-(13-thia-10,15-diazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,11,14-hexaen-11-yl)butanoic acid
CID 80656370

Frequently Asked Questions

What is the IUPAC name of 4-[6-(5-chlorothiophen-2-yl)imidazo[2,1-b][1,3]thiazol-3-yl]butanoic acid?
The IUPAC name of 4-[6-(5-chlorothiophen-2-yl)imidazo[2,1-b][1,3]thiazol-3-yl]butanoic acid (CID 80661712) is 4-[6-(5-chlorothiophen-2-yl)imidazo[2,1-b][1,3]thiazol-3-yl]butanoic acid.
What is the SMILES notation for 4-[6-(5-chlorothiophen-2-yl)imidazo[2,1-b][1,3]thiazol-3-yl]butanoic acid?
The canonical SMILES for 4-[6-(5-chlorothiophen-2-yl)imidazo[2,1-b][1,3]thiazol-3-yl]butanoic acid is O=C(O)CCCc1csc2nc(-c3ccc(Cl)s3)cn12.
What is the InChIKey of 4-[6-(5-chlorothiophen-2-yl)imidazo[2,1-b][1,3]thiazol-3-yl]butanoic acid?
The InChIKey is HNWWWTSEKJQHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O2S2/c14-11-5-4-10(20-11)9-6-16-8(2-1-3-12(17)18)7-19-13(16)15-9/h4-7H,1-3H2,(H,17,18).
What are the key properties of 4-[6-(5-chlorothiophen-2-yl)imidazo[2,1-b][1,3]thiazol-3-yl]butanoic acid?
4-[6-(5-chlorothiophen-2-yl)imidazo[2,1-b][1,3]thiazol-3-yl]butanoic acid has a molecular weight of 326.83 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(5-chlorothiophen-2-yl)imidazo[2,1-b][1,3]thiazol-3-yl]butanoic acid is sourced from PubChem (CID 80661712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).