ethyl 2-amino-4-formyl-1,3-thiazole-5-carboxylate

C7H8N2O3S — CID 59864685

IUPACethyl 2-amino-4-formyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(N)nc1C=O
InChIInChI=1S/C7H8N2O3S/c1-2-12-6(11)5-4(3-10)9-7(8)13-5/h3H,2H2,1H3,(H2,8,9)
InChIKeySMBNNIICTSBLKB-UHFFFAOYSA-N
MW200.22 g/mol
LogP0.71
Rot. Bonds3

About ethyl 2-amino-4-formyl-1,3-thiazole-5-carboxylate

ethyl 2-amino-4-formyl-1,3-thiazole-5-carboxylate (PubChem CID 59864685) has the molecular formula C7H8N2O3S and a molecular weight of 200.22 g/mol. Its IUPAC name is ethyl 2-amino-4-formyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-4-formyl-1,3-thiazole-5-carboxylate
PubChem CID59864685
Molecular FormulaC7H8N2O3S
Molecular Weight200.22 g/mol
Exact Mass200.03
IUPAC Nameethyl 2-amino-4-formyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(N)nc1C=O
InChIInChI=1S/C7H8N2O3S/c1-2-12-6(11)5-4(3-10)9-7(8)13-5/h3H,2H2,1H3,(H2,8,9)
InChIKeySMBNNIICTSBLKB-UHFFFAOYSA-N
XLogP0.71
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.22
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

bis(diethyl 2-amino-1,3-thiazole-4,5-dicarboxylate);hydrate
CID 139067638
5-O-ethyl 4-O-methyl 2-amino-1,3-thiazole-4,5-dicarboxylate
CID 88820286
ethyl 2-amino-4-(3,4-dimethylphenyl)-1,3-thiazole-5-carboxylate
CID 90477363
2-amino-5-methyl-1,3-thiazole-4-carbaldehyde
CID 45083446
ethyl 2-amino-4-(3,5-dichlorophenyl)-1,3-thiazole-5-carboxylate
CID 34173292
ethane;ethyl 2-amino-5-methyl-1,3-thiazole-4-carboxylate
CID 145143337
ethyl 2-amino-4-[butyl(ethyl)amino]-1,3-thiazole-5-carboxylate
CID 28815592
ethyl 2-amino-4-(3,5-dimethylpiperidin-1-yl)-1,3-thiazole-5-carboxylate
CID 82022000
ethyl 2-amino-4-naphthalen-1-yl-1,3-thiazole-5-carboxylate
CID 53440975
ethyl 2-formyl-3,4-dimethylthieno[2,3-b]thiophene-5-carboxylate
CID 101246792
ethyl 4-methyl-2-(3-oxoprop-1-enyl)-1,3-thiazole-5-carboxylate
CID 169459614
ethyl 5-formyl-3-methylthiophene-2-carboxylate
CID 165454196

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-4-formyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-amino-4-formyl-1,3-thiazole-5-carboxylate (CID 59864685) is ethyl 2-amino-4-formyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-amino-4-formyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-amino-4-formyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(N)nc1C=O.
What is the InChIKey of ethyl 2-amino-4-formyl-1,3-thiazole-5-carboxylate?
The InChIKey is SMBNNIICTSBLKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3S/c1-2-12-6(11)5-4(3-10)9-7(8)13-5/h3H,2H2,1H3,(H2,8,9).
What are the key properties of ethyl 2-amino-4-formyl-1,3-thiazole-5-carboxylate?
ethyl 2-amino-4-formyl-1,3-thiazole-5-carboxylate has a molecular weight of 200.22 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-4-formyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 59864685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).