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

C15H13ClN2O2S — CID 43464947

IUPACethyl 2-[6-(3-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetate
SMILESCCOC(=O)Cc1csc2nc(-c3cccc(Cl)c3)cn12
InChIInChI=1S/C15H13ClN2O2S/c1-2-20-14(19)7-12-9-21-15-17-13(8-18(12)15)10-4-3-5-11(16)6-10/h3-6,8-9H,2,7H2,1H3
InChIKeyBKVDVEDFBRYYST-UHFFFAOYSA-N
MW320.80 g/mol
LogP3.82
Rot. Bonds4

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

ethyl 2-[6-(3-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetate (PubChem CID 43464947) has the molecular formula C15H13ClN2O2S and a molecular weight of 320.80 g/mol. Its IUPAC name is ethyl 2-[6-(3-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[6-(3-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetate
PubChem CID43464947
Molecular FormulaC15H13ClN2O2S
Molecular Weight320.80 g/mol
Exact Mass320.04
IUPAC Nameethyl 2-[6-(3-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetate
SMILESCCOC(=O)Cc1csc2nc(-c3cccc(Cl)c3)cn12
InChIInChI=1S/C15H13ClN2O2S/c1-2-20-14(19)7-12-9-21-15-17-13(8-18(12)15)10-4-3-5-11(16)6-10/h3-6,8-9H,2,7H2,1H3
InChIKeyBKVDVEDFBRYYST-UHFFFAOYSA-N
XLogP3.82
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.80
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[6-(furan-2-yl)imidazo[2,1-b][1,3]thiazol-3-yl]acetate
CID 43464958
ethyl 2-[6-(2-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetate
CID 19224615
2-[6-(3-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 53036840
N,N-diethyl-2-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 40509499
N-(3-chlorophenyl)-2-[6-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide;hydrochloride
CID 146063293
ethyl 6-(3-bromophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxylate
CID 91757030
N-(5-chloro-2-methoxyphenyl)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 7522499
ethyl 6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxylate
CID 91757014
3-chloro-N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide
CID 40506297
2-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 29044561
N-(4-ethoxyphenyl)-2-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 40509577
N-(5-chloro-2-methoxyphenyl)-2-[6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 53122753

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[6-(3-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetate?
The IUPAC name of ethyl 2-[6-(3-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetate (CID 43464947) is ethyl 2-[6-(3-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetate.
What is the SMILES notation for ethyl 2-[6-(3-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetate?
The canonical SMILES for ethyl 2-[6-(3-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetate is CCOC(=O)Cc1csc2nc(-c3cccc(Cl)c3)cn12.
What is the InChIKey of ethyl 2-[6-(3-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetate?
The InChIKey is BKVDVEDFBRYYST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O2S/c1-2-20-14(19)7-12-9-21-15-17-13(8-18(12)15)10-4-3-5-11(16)6-10/h3-6,8-9H,2,7H2,1H3.
What are the key properties of ethyl 2-[6-(3-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetate?
ethyl 2-[6-(3-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetate has a molecular weight of 320.80 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[6-(3-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetate is sourced from PubChem (CID 43464947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).