ethyl 6-tert-butyl-5-formyl-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate

C14H18N2O3S — CID 82036295

IUPACethyl 6-tert-butyl-5-formyl-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate
SMILESCCOC(=O)c1sc2nc(C(C)(C)C)c(C=O)n2c1C
InChIInChI=1S/C14H18N2O3S/c1-6-19-12(18)10-8(2)16-9(7-17)11(14(3,4)5)15-13(16)20-10/h7H,6H2,1-5H3
InChIKeyDIVODHHIQYGMTP-UHFFFAOYSA-N
MW294.38 g/mol
LogP2.99
Rot. Bonds3

About ethyl 6-tert-butyl-5-formyl-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate

ethyl 6-tert-butyl-5-formyl-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate (PubChem CID 82036295) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is ethyl 6-tert-butyl-5-formyl-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-tert-butyl-5-formyl-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate
PubChem CID82036295
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Nameethyl 6-tert-butyl-5-formyl-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate
SMILESCCOC(=O)c1sc2nc(C(C)(C)C)c(C=O)n2c1C
InChIInChI=1S/C14H18N2O3S/c1-6-19-12(18)10-8(2)16-9(7-17)11(14(3,4)5)15-13(16)20-10/h7H,6H2,1-5H3
InChIKeyDIVODHHIQYGMTP-UHFFFAOYSA-N
XLogP2.99
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl 5-formyl-3-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 82036074
ethyl 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-formyl-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 82036157
ethyl 1-methyl-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazole-2-carboxylate
CID 79015781
ethyl 2-amino-4-formyl-1,3-thiazole-5-carboxylate
CID 59864685
ethyl 2-tert-butyl-4-(hydroxymethyl)-1,3-thiazole-5-carboxylate
CID 69475996
ethyl 5-formyl-3-methylthiophene-2-carboxylate
CID 165454196
ethyl 6-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methylamino]-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 53204701
ethyl 3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 14801951
ethyl 5-(benzylamino)-3-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 53204793
ethyl 6-(5-ethylthiophen-2-yl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 81496961
ethyl 3-(2,2-difluoropropyl)-5-formylthiophene-2-carboxylate
CID 165449581
ethyl 3-methyl-6-pyridin-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 79022280

Frequently Asked Questions

What is the IUPAC name of ethyl 6-tert-butyl-5-formyl-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate?
The IUPAC name of ethyl 6-tert-butyl-5-formyl-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate (CID 82036295) is ethyl 6-tert-butyl-5-formyl-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate.
What is the SMILES notation for ethyl 6-tert-butyl-5-formyl-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate?
The canonical SMILES for ethyl 6-tert-butyl-5-formyl-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate is CCOC(=O)c1sc2nc(C(C)(C)C)c(C=O)n2c1C.
What is the InChIKey of ethyl 6-tert-butyl-5-formyl-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate?
The InChIKey is DIVODHHIQYGMTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-6-19-12(18)10-8(2)16-9(7-17)11(14(3,4)5)15-13(16)20-10/h7H,6H2,1-5H3.
What are the key properties of ethyl 6-tert-butyl-5-formyl-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate?
ethyl 6-tert-butyl-5-formyl-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate has a molecular weight of 294.38 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-tert-butyl-5-formyl-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate is sourced from PubChem (CID 82036295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).