ethyl 2-[5-amino-6-(furan-2-yl)imidazo[2,1-b][1,3]thiazol-3-yl]acetate

C13H13N3O3S — CID 82068757

IUPACethyl 2-[5-amino-6-(furan-2-yl)imidazo[2,1-b][1,3]thiazol-3-yl]acetate
SMILESCCOC(=O)Cc1csc2nc(-c3ccco3)c(N)n12
InChIInChI=1S/C13H13N3O3S/c1-2-18-10(17)6-8-7-20-13-15-11(12(14)16(8)13)9-4-3-5-19-9/h3-5,7H,2,6,14H2,1H3
InChIKeyBJNWLLNLPRDEQU-UHFFFAOYSA-N
MW291.33 g/mol
LogP2.34
Rot. Bonds4

About ethyl 2-[5-amino-6-(furan-2-yl)imidazo[2,1-b][1,3]thiazol-3-yl]acetate

ethyl 2-[5-amino-6-(furan-2-yl)imidazo[2,1-b][1,3]thiazol-3-yl]acetate (PubChem CID 82068757) has the molecular formula C13H13N3O3S and a molecular weight of 291.33 g/mol. Its IUPAC name is ethyl 2-[5-amino-6-(furan-2-yl)imidazo[2,1-b][1,3]thiazol-3-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[5-amino-6-(furan-2-yl)imidazo[2,1-b][1,3]thiazol-3-yl]acetate
PubChem CID82068757
Molecular FormulaC13H13N3O3S
Molecular Weight291.33 g/mol
Exact Mass291.07
IUPAC Nameethyl 2-[5-amino-6-(furan-2-yl)imidazo[2,1-b][1,3]thiazol-3-yl]acetate
SMILESCCOC(=O)Cc1csc2nc(-c3ccco3)c(N)n12
InChIInChI=1S/C13H13N3O3S/c1-2-18-10(17)6-8-7-20-13-15-11(12(14)16(8)13)9-4-3-5-19-9/h3-5,7H,2,6,14H2,1H3
InChIKeyBJNWLLNLPRDEQU-UHFFFAOYSA-N
XLogP2.34
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 2-[6-(furan-2-yl)imidazo[2,1-b][1,3]thiazol-3-yl]acetate
CID 43464958
3-(4-ethylphenyl)-6-(furan-2-yl)imidazo[2,1-b][1,3]thiazol-5-amine
CID 93216173
6-(furan-2-yl)-3-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-amine
CID 93216185
6-(furan-2-yl)-3-(2-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-amine
CID 93216189
2-[3,6-bis(furan-2-yl)imidazo[2,1-b][1,3]thiazol-5-yl]acetic acid
CID 93210596
2-[3-tert-butyl-6-(furan-2-yl)imidazo[2,1-b][1,3]thiazol-5-yl]acetic acid
CID 82062345
ethyl 4-(furan-2-yl)-5-methyl-1,3-thiazole-2-carboxylate
CID 62633596
ethyl 2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]acetate
CID 18801946
3-(furan-2-yl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-5-amine
CID 82068730
ethyl 2-(4,5-dimethyl-2-oxo-6,10-dithia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),4,8,11-tetraen-12-yl)acetate
CID 694417
2-[6-(furan-2-yl)-3-phenylimidazo[2,1-b][1,3]thiazol-5-yl]acetic acid
CID 82062327
2-[6-(furan-2-yl)-3-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-5-yl]acetic acid
CID 82062382

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-amino-6-(furan-2-yl)imidazo[2,1-b][1,3]thiazol-3-yl]acetate?
The IUPAC name of ethyl 2-[5-amino-6-(furan-2-yl)imidazo[2,1-b][1,3]thiazol-3-yl]acetate (CID 82068757) is ethyl 2-[5-amino-6-(furan-2-yl)imidazo[2,1-b][1,3]thiazol-3-yl]acetate.
What is the SMILES notation for ethyl 2-[5-amino-6-(furan-2-yl)imidazo[2,1-b][1,3]thiazol-3-yl]acetate?
The canonical SMILES for ethyl 2-[5-amino-6-(furan-2-yl)imidazo[2,1-b][1,3]thiazol-3-yl]acetate is CCOC(=O)Cc1csc2nc(-c3ccco3)c(N)n12.
What is the InChIKey of ethyl 2-[5-amino-6-(furan-2-yl)imidazo[2,1-b][1,3]thiazol-3-yl]acetate?
The InChIKey is BJNWLLNLPRDEQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3S/c1-2-18-10(17)6-8-7-20-13-15-11(12(14)16(8)13)9-4-3-5-19-9/h3-5,7H,2,6,14H2,1H3.
What are the key properties of ethyl 2-[5-amino-6-(furan-2-yl)imidazo[2,1-b][1,3]thiazol-3-yl]acetate?
ethyl 2-[5-amino-6-(furan-2-yl)imidazo[2,1-b][1,3]thiazol-3-yl]acetate has a molecular weight of 291.33 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-amino-6-(furan-2-yl)imidazo[2,1-b][1,3]thiazol-3-yl]acetate is sourced from PubChem (CID 82068757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).