[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate

C17H16ClN3O3S — CID 8818095

IUPAC[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
SMILESC[C@@H](NC(=O)COC(=O)Cc1cn2ccsc2n1)c1ccc(Cl)cc1
InChIInChI=1S/C17H16ClN3O3S/c1-11(12-2-4-13(18)5-3-12)19-15(22)10-24-16(23)8-14-9-21-6-7-25-17(21)20-14/h2-7,9,11H,8,10H2,1H3,(H,19,22)/t11-/m1/s1
InChIKeyKBBLGFIIKMXNTQ-LLVKDONJSA-N
MW377.85 g/mol
LogP3.01
Rot. Bonds6

About [2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate

[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate (PubChem CID 8818095) has the molecular formula C17H16ClN3O3S and a molecular weight of 377.85 g/mol. Its IUPAC name is [2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate.

Molecular Properties

Compound Name[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
PubChem CID8818095
Molecular FormulaC17H16ClN3O3S
Molecular Weight377.85 g/mol
Exact Mass377.06
IUPAC Name[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
SMILESC[C@@H](NC(=O)COC(=O)Cc1cn2ccsc2n1)c1ccc(Cl)cc1
InChIInChI=1S/C17H16ClN3O3S/c1-11(12-2-4-13(18)5-3-12)19-15(22)10-24-16(23)8-14-9-21-6-7-25-17(21)20-14/h2-7,9,11H,8,10H2,1H3,(H,19,22)/t11-/m1/s1
InChIKeyKBBLGFIIKMXNTQ-LLVKDONJSA-N
XLogP3.01
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.85
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
CID 8816656
(1S)-1-(4-chlorophenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)ethanamine
CID 115331754
N-[3,4-bis(4-chlorophenyl)butan-2-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 23404768
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]acetamide
CID 25351863
[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
CID 23796788
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
CID 8818035
N-(4-chlorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 5057213
2-(4-chlorophenyl)-N'-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)acetohydrazide
CID 27683802
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
CID 8816809
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]acetamide
CID 46432216
N-[1-(3-ethoxyphenyl)ethyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 51097716
[2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 8578991

Frequently Asked Questions

What is the IUPAC name of [2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate?
The IUPAC name of [2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate (CID 8818095) is [2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate.
What is the SMILES notation for [2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate?
The canonical SMILES for [2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate is C[C@@H](NC(=O)COC(=O)Cc1cn2ccsc2n1)c1ccc(Cl)cc1.
What is the InChIKey of [2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate?
The InChIKey is KBBLGFIIKMXNTQ-LLVKDONJSA-N. The full InChI is InChI=1S/C17H16ClN3O3S/c1-11(12-2-4-13(18)5-3-12)19-15(22)10-24-16(23)8-14-9-21-6-7-25-17(21)20-14/h2-7,9,11H,8,10H2,1H3,(H,19,22)/t11-/m1/s1.
What are the key properties of [2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate?
[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate has a molecular weight of 377.85 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate is sourced from PubChem (CID 8818095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).