ethyl 2-(formamidomethyl)-1,3-thiazole-5-carboxylate

C8H10N2O3S — CID 71425005

IUPACethyl 2-(formamidomethyl)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1cnc(CNC=O)s1
InChIInChI=1S/C8H10N2O3S/c1-2-13-8(12)6-3-10-7(14-6)4-9-5-11/h3,5H,2,4H2,1H3,(H,9,11)
InChIKeyRFBUTNFRLMYWFL-UHFFFAOYSA-N
MW214.25 g/mol
LogP0.57
Rot. Bonds5

About ethyl 2-(formamidomethyl)-1,3-thiazole-5-carboxylate

ethyl 2-(formamidomethyl)-1,3-thiazole-5-carboxylate (PubChem CID 71425005) has the molecular formula C8H10N2O3S and a molecular weight of 214.25 g/mol. Its IUPAC name is ethyl 2-(formamidomethyl)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(formamidomethyl)-1,3-thiazole-5-carboxylate
PubChem CID71425005
Molecular FormulaC8H10N2O3S
Molecular Weight214.25 g/mol
Exact Mass214.04
IUPAC Nameethyl 2-(formamidomethyl)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1cnc(CNC=O)s1
InChIInChI=1S/C8H10N2O3S/c1-2-13-8(12)6-3-10-7(14-6)4-9-5-11/h3,5H,2,4H2,1H3,(H,9,11)
InChIKeyRFBUTNFRLMYWFL-UHFFFAOYSA-N
XLogP0.57
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.25
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethane;ethyl 2-(3-oxopropyl)-1,3-thiazole-5-carboxylate
CID 145400595
ethyl 2-methyl-1,3-thiazole-5-carboxylate
CID 12808791
N-[(5-methyl-1,3-thiazol-2-yl)methyl]formamide
CID 22916690
[2-(formamidomethyl)-1,3-thiazol-5-yl]methyl acetate
CID 19605015
ethyl 2-[(2-chloroacetyl)amino]-1,3-thiazole-5-carboxylate
CID 83306355
ethyl 2-ethylsulfanyl-1,3-thiazole-5-carboxylate
CID 173319674
ethyl 2-(2-methylphenyl)-1,3-thiazole-5-carboxylate
CID 91757223
ethyl 2-(pyridin-4-ylamino)-1,3-thiazole-5-carboxylate
CID 143301188
ethyl 2-(4-ethoxy-4-oxobut-1-enyl)-1,3-thiazole-5-carboxylate
CID 170796541
ethyl 2-[(2-hydroxybenzoyl)amino]-1,3-thiazole-5-carboxylate
CID 57394846
2-ethoxycarbonyl-1,3-thiazole-5-carboxylic acid
CID 66714979
chlorobenzene;ethyl 2-chloro-1,3-thiazole-5-carboxylate
CID 20535196

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(formamidomethyl)-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-(formamidomethyl)-1,3-thiazole-5-carboxylate (CID 71425005) is ethyl 2-(formamidomethyl)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-(formamidomethyl)-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-(formamidomethyl)-1,3-thiazole-5-carboxylate is CCOC(=O)c1cnc(CNC=O)s1.
What is the InChIKey of ethyl 2-(formamidomethyl)-1,3-thiazole-5-carboxylate?
The InChIKey is RFBUTNFRLMYWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3S/c1-2-13-8(12)6-3-10-7(14-6)4-9-5-11/h3,5H,2,4H2,1H3,(H,9,11).
What are the key properties of ethyl 2-(formamidomethyl)-1,3-thiazole-5-carboxylate?
ethyl 2-(formamidomethyl)-1,3-thiazole-5-carboxylate has a molecular weight of 214.25 g/mol, XLogP of 0.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(formamidomethyl)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 71425005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).