methyl 3-[[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]benzoate

C15H15N3O3S — CID 108800479

IUPACmethyl 3-[[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)CC2=CSC3=NCCN23)c1
InChIInChI=1S/C15H15N3O3S/c1-21-14(20)10-3-2-4-11(7-10)17-13(19)8-12-9-22-15-16-5-6-18(12)15/h2-4,7,9H,5-6,8H2,1H3,(H,17,19)
InChIKeyZSAIGUDVAJNJSX-UHFFFAOYSA-N
MW317.37 g/mol
LogP2.06
Rot. Bonds4

About methyl 3-[[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]benzoate

methyl 3-[[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]benzoate (PubChem CID 108800479) has the molecular formula C15H15N3O3S and a molecular weight of 317.37 g/mol. Its IUPAC name is methyl 3-[[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]benzoate
PubChem CID108800479
Molecular FormulaC15H15N3O3S
Molecular Weight317.37 g/mol
Exact Mass317.08
IUPAC Namemethyl 3-[[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)CC2=CSC3=NCCN23)c1
InChIInChI=1S/C15H15N3O3S/c1-21-14(20)10-3-2-4-11(7-10)17-13(19)8-12-9-22-15-16-5-6-18(12)15/h2-4,7,9H,5-6,8H2,1H3,(H,17,19)
InChIKeyZSAIGUDVAJNJSX-UHFFFAOYSA-N
XLogP2.06
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 3-[[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]benzoate with MolForge

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Related Compounds

N-(3-acetylphenyl)-2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 108800583
2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-[3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]acetamide
CID 108800559
ethyl 4-[[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]benzoate
CID 108787488
2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-[4-(dimethylamino)phenyl]acetamide
CID 108787628
N-(5-acetyl-2-chlorophenyl)-2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 108800556
4-[[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]-3-hydroxybenzoic acid
CID 108800562
2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-(2-phenoxyphenyl)acetamide
CID 108787681
methyl 3-[(2-hydroxyacetyl)amino]benzoate
CID 82113146
methyl 3-[[2-(5-methyl-1,2-oxazol-3-yl)acetyl]amino]benzoate
CID 110424177
methyl 3-[(3-anilino-3-oxopropanoyl)amino]benzoate
CID 108952857
2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-(2-morpholin-4-ylphenyl)acetamide
CID 108787625
methyl 3-[(2-methylsulfonylacetyl)amino]benzoate
CID 61344209

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]benzoate?
The IUPAC name of methyl 3-[[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]benzoate (CID 108800479) is methyl 3-[[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]benzoate.
What is the SMILES notation for methyl 3-[[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]benzoate?
The canonical SMILES for methyl 3-[[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]benzoate is COC(=O)c1cccc(NC(=O)CC2=CSC3=NCCN23)c1.
What is the InChIKey of methyl 3-[[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]benzoate?
The InChIKey is ZSAIGUDVAJNJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3S/c1-21-14(20)10-3-2-4-11(7-10)17-13(19)8-12-9-22-15-16-5-6-18(12)15/h2-4,7,9H,5-6,8H2,1H3,(H,17,19).
What are the key properties of methyl 3-[[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]benzoate?
methyl 3-[[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]benzoate has a molecular weight of 317.37 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]benzoate is sourced from PubChem (CID 108800479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).