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

C9H9IN2O2S — CID 80662305

IUPAC4-(5-iodoimidazo[2,1-b][1,3]thiazol-3-yl)butanoic acid
SMILESO=C(O)CCCc1csc2ncc(I)n12
InChIInChI=1S/C9H9IN2O2S/c10-7-4-11-9-12(7)6(5-15-9)2-1-3-8(13)14/h4-5H,1-3H2,(H,13,14)
InChIKeyQEMVJTWFMHISGV-UHFFFAOYSA-N
MW336.15 g/mol
LogP2.41
Rot. Bonds4

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

4-(5-iodoimidazo[2,1-b][1,3]thiazol-3-yl)butanoic acid (PubChem CID 80662305) has the molecular formula C9H9IN2O2S and a molecular weight of 336.15 g/mol. Its IUPAC name is 4-(5-iodoimidazo[2,1-b][1,3]thiazol-3-yl)butanoic acid.

Molecular Properties

Compound Name4-(5-iodoimidazo[2,1-b][1,3]thiazol-3-yl)butanoic acid
PubChem CID80662305
Molecular FormulaC9H9IN2O2S
Molecular Weight336.15 g/mol
Exact Mass335.94
IUPAC Name4-(5-iodoimidazo[2,1-b][1,3]thiazol-3-yl)butanoic acid
SMILESO=C(O)CCCc1csc2ncc(I)n12
InChIInChI=1S/C9H9IN2O2S/c10-7-4-11-9-12(7)6(5-15-9)2-1-3-8(13)14/h4-5H,1-3H2,(H,13,14)
InChIKeyQEMVJTWFMHISGV-UHFFFAOYSA-N
XLogP2.41
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.15
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(5-bromoimidazo[2,1-b][1,3]thiazol-3-yl)propanoic acid
CID 81496277
4-(6-ethyl-5-methylimidazo[2,1-b][1,3]thiazol-3-yl)butanoic acid
CID 80661514
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
4-(11-ethyl-5-thia-2,7,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),3,6-trien-3-yl)butanoic acid
CID 80663011
4-[6-(methoxymethyl)imidazo[2,1-b][1,3]thiazol-3-yl]butanoic acid
CID 107508269
4-(6-iodo-3-pyridinyl)butanoic acid
CID 134406109
4-[6-(5-chlorothiophen-2-yl)imidazo[2,1-b][1,3]thiazol-3-yl]butanoic acid
CID 80661712
2-(3-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)acetic acid
CID 82062252
3-(5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazol-1-yl)propanoic acid
CID 81496744
3-(1,3-thiazol-5-yl)propanoic acid
CID 45121677
4-[6-(2,5-dimethylfuran-3-yl)imidazo[2,1-b][1,3]thiazol-3-yl]butanoic acid
CID 80655203
4-[6-(3-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]butanoic acid
CID 80655201

Frequently Asked Questions

What is the IUPAC name of 4-(5-iodoimidazo[2,1-b][1,3]thiazol-3-yl)butanoic acid?
The IUPAC name of 4-(5-iodoimidazo[2,1-b][1,3]thiazol-3-yl)butanoic acid (CID 80662305) is 4-(5-iodoimidazo[2,1-b][1,3]thiazol-3-yl)butanoic acid.
What is the SMILES notation for 4-(5-iodoimidazo[2,1-b][1,3]thiazol-3-yl)butanoic acid?
The canonical SMILES for 4-(5-iodoimidazo[2,1-b][1,3]thiazol-3-yl)butanoic acid is O=C(O)CCCc1csc2ncc(I)n12.
What is the InChIKey of 4-(5-iodoimidazo[2,1-b][1,3]thiazol-3-yl)butanoic acid?
The InChIKey is QEMVJTWFMHISGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9IN2O2S/c10-7-4-11-9-12(7)6(5-15-9)2-1-3-8(13)14/h4-5H,1-3H2,(H,13,14).
What are the key properties of 4-(5-iodoimidazo[2,1-b][1,3]thiazol-3-yl)butanoic acid?
4-(5-iodoimidazo[2,1-b][1,3]thiazol-3-yl)butanoic acid has a molecular weight of 336.15 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-iodoimidazo[2,1-b][1,3]thiazol-3-yl)butanoic acid is sourced from PubChem (CID 80662305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).