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

C12H16N2O2S — CID 80661514

IUPAC4-(6-ethyl-5-methylimidazo[2,1-b][1,3]thiazol-3-yl)butanoic acid
SMILESCCc1nc2scc(CCCC(=O)O)n2c1C
InChIInChI=1S/C12H16N2O2S/c1-3-10-8(2)14-9(5-4-6-11(15)16)7-17-12(14)13-10/h7H,3-6H2,1-2H3,(H,15,16)
InChIKeyHINWBTBGKURTGY-UHFFFAOYSA-N
MW252.34 g/mol
LogP2.67
Rot. Bonds5

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

4-(6-ethyl-5-methylimidazo[2,1-b][1,3]thiazol-3-yl)butanoic acid (PubChem CID 80661514) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is 4-(6-ethyl-5-methylimidazo[2,1-b][1,3]thiazol-3-yl)butanoic acid.

Molecular Properties

Compound Name4-(6-ethyl-5-methylimidazo[2,1-b][1,3]thiazol-3-yl)butanoic acid
PubChem CID80661514
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC Name4-(6-ethyl-5-methylimidazo[2,1-b][1,3]thiazol-3-yl)butanoic acid
SMILESCCc1nc2scc(CCCC(=O)O)n2c1C
InChIInChI=1S/C12H16N2O2S/c1-3-10-8(2)14-9(5-4-6-11(15)16)7-17-12(14)13-10/h7H,3-6H2,1-2H3,(H,15,16)
InChIKeyHINWBTBGKURTGY-UHFFFAOYSA-N
XLogP2.67
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-(5-iodoimidazo[2,1-b][1,3]thiazol-3-yl)butanoic acid
CID 80662305
4-[6-(methoxymethyl)imidazo[2,1-b][1,3]thiazol-3-yl]butanoic acid
CID 107508269
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-[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
3-(5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazol-1-yl)propanoic acid
CID 81496744
4-[6-(5-chlorothiophen-2-yl)imidazo[2,1-b][1,3]thiazol-3-yl]butanoic acid
CID 80661712
3-(5-bromoimidazo[2,1-b][1,3]thiazol-3-yl)propanoic acid
CID 81496277
4-(3-chloro-6-methyl-2-pyridinyl)butanoic acid
CID 83886143
3-(4-ethyl-1,3-thiazol-2-yl)propanoic acid
CID 39237748
methyl 4-(11-ethyl-5-thia-2,7,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),3,6-trien-3-yl)butanoate
CID 80655610

Frequently Asked Questions

What is the IUPAC name of 4-(6-ethyl-5-methylimidazo[2,1-b][1,3]thiazol-3-yl)butanoic acid?
The IUPAC name of 4-(6-ethyl-5-methylimidazo[2,1-b][1,3]thiazol-3-yl)butanoic acid (CID 80661514) is 4-(6-ethyl-5-methylimidazo[2,1-b][1,3]thiazol-3-yl)butanoic acid.
What is the SMILES notation for 4-(6-ethyl-5-methylimidazo[2,1-b][1,3]thiazol-3-yl)butanoic acid?
The canonical SMILES for 4-(6-ethyl-5-methylimidazo[2,1-b][1,3]thiazol-3-yl)butanoic acid is CCc1nc2scc(CCCC(=O)O)n2c1C.
What is the InChIKey of 4-(6-ethyl-5-methylimidazo[2,1-b][1,3]thiazol-3-yl)butanoic acid?
The InChIKey is HINWBTBGKURTGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S/c1-3-10-8(2)14-9(5-4-6-11(15)16)7-17-12(14)13-10/h7H,3-6H2,1-2H3,(H,15,16).
What are the key properties of 4-(6-ethyl-5-methylimidazo[2,1-b][1,3]thiazol-3-yl)butanoic acid?
4-(6-ethyl-5-methylimidazo[2,1-b][1,3]thiazol-3-yl)butanoic acid has a molecular weight of 252.34 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-ethyl-5-methylimidazo[2,1-b][1,3]thiazol-3-yl)butanoic acid is sourced from PubChem (CID 80661514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).