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

C18H21N3O3S — CID 108787557

IUPACbutyl 2-[[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]benzoate
SMILESCCCCOC(=O)c1ccccc1NC(=O)CC1=CSC2=NCCN12
InChIInChI=1S/C18H21N3O3S/c1-2-3-10-24-17(23)14-6-4-5-7-15(14)20-16(22)11-13-12-25-18-19-8-9-21(13)18/h4-7,12H,2-3,8-11H2,1H3,(H,20,22)
InChIKeyBPNRAGRLNVLVFX-UHFFFAOYSA-N
MW359.45 g/mol
LogP3.23
Rot. Bonds7

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

butyl 2-[[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]benzoate (PubChem CID 108787557) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is butyl 2-[[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]benzoate.

Molecular Properties

Compound Namebutyl 2-[[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]benzoate
PubChem CID108787557
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC Namebutyl 2-[[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]benzoate
SMILESCCCCOC(=O)c1ccccc1NC(=O)CC1=CSC2=NCCN12
InChIInChI=1S/C18H21N3O3S/c1-2-3-10-24-17(23)14-6-4-5-7-15(14)20-16(22)11-13-12-25-18-19-8-9-21(13)18/h4-7,12H,2-3,8-11H2,1H3,(H,20,22)
InChIKeyBPNRAGRLNVLVFX-UHFFFAOYSA-N
XLogP3.23
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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

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Related Compounds

butyl 2-[[2-(4-bromophenyl)acetyl]amino]benzoate
CID 108785571
2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-(1-phenylethyl)acetamide
CID 108787519
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 108787682
2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-(2-oxo-1H-pyrimidin-6-yl)acetamide
CID 108800450
butyl 2-[[2-oxo-2-(pyrimidin-2-ylamino)acetyl]amino]benzoate
CID 108514572
N-(4-cyanophenyl)-2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 108787570
butyl 2-[(4-carbamoylpiperidine-1-carbonyl)amino]benzoate
CID 3838122
butyl 2-[[2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]acetyl]amino]benzoate
CID 39757578
butyl 2-[(2-sulfanylphenyl)carbamoylamino]benzoate
CID 108886349
dibutyl benzene-1,2-dicarboxylate
CID 69108201
butyl 2-[[2-[(4-aminobenzoyl)amino]-2-oxoacetyl]amino]benzoate
CID 108514644
butyl 2-[[2-[4-(dimethylamino)anilino]-2-oxoacetyl]amino]benzoate
CID 108514620

Frequently Asked Questions

What is the IUPAC name of butyl 2-[[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]benzoate?
The IUPAC name of butyl 2-[[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]benzoate (CID 108787557) is butyl 2-[[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]benzoate.
What is the SMILES notation for butyl 2-[[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]benzoate?
The canonical SMILES for butyl 2-[[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]benzoate is CCCCOC(=O)c1ccccc1NC(=O)CC1=CSC2=NCCN12.
What is the InChIKey of butyl 2-[[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]benzoate?
The InChIKey is BPNRAGRLNVLVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c1-2-3-10-24-17(23)14-6-4-5-7-15(14)20-16(22)11-13-12-25-18-19-8-9-21(13)18/h4-7,12H,2-3,8-11H2,1H3,(H,20,22).
What are the key properties of butyl 2-[[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]benzoate?
butyl 2-[[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]benzoate has a molecular weight of 359.45 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-[[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]benzoate is sourced from PubChem (CID 108787557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).