ethyl 2-formamido-4-methyl-1,3-thiazole-5-carboxylate

C8H10N2O3S — CID 14486436

IUPACethyl 2-formamido-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC=O)nc1C
InChIInChI=1S/C8H10N2O3S/c1-3-13-7(12)6-5(2)10-8(14-6)9-4-11/h4H,3H2,1-2H3,(H,9,10,11)
InChIKeyPSGBDJJLXGYBOQ-UHFFFAOYSA-N
MW214.25 g/mol
LogP1.20
Rot. Bonds4

About ethyl 2-formamido-4-methyl-1,3-thiazole-5-carboxylate

ethyl 2-formamido-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 14486436) has the molecular formula C8H10N2O3S and a molecular weight of 214.25 g/mol. Its IUPAC name is ethyl 2-formamido-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-formamido-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID14486436
Molecular FormulaC8H10N2O3S
Molecular Weight214.25 g/mol
Exact Mass214.04
IUPAC Nameethyl 2-formamido-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC=O)nc1C
InChIInChI=1S/C8H10N2O3S/c1-3-13-7(12)6-5(2)10-8(14-6)9-4-11/h4H,3H2,1-2H3,(H,9,10,11)
InChIKeyPSGBDJJLXGYBOQ-UHFFFAOYSA-N
XLogP1.20
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.25
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-formamido-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-formamido-4-methyl-1,3-thiazole-5-carboxylate (CID 14486436) is ethyl 2-formamido-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-formamido-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-formamido-4-methyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(NC=O)nc1C.
What is the InChIKey of ethyl 2-formamido-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is PSGBDJJLXGYBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3S/c1-3-13-7(12)6-5(2)10-8(14-6)9-4-11/h4H,3H2,1-2H3,(H,9,10,11).
What are the key properties of ethyl 2-formamido-4-methyl-1,3-thiazole-5-carboxylate?
ethyl 2-formamido-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 214.25 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-formamido-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 14486436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).