ethyl 2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoacetate

C8H10N2O3S — CID 2914163

IUPACethyl 2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoacetate
SMILESCCOC(=O)C(=O)Nc1nc(C)cs1
InChIInChI=1S/C8H10N2O3S/c1-3-13-7(12)6(11)10-8-9-5(2)4-14-8/h4H,3H2,1-2H3,(H,9,10,11)
InChIKeyMTWVCWHQJRVUEX-UHFFFAOYSA-N
MW214.25 g/mol
LogP0.95
Rot. Bonds2

About ethyl 2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoacetate

ethyl 2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoacetate (PubChem CID 2914163) has the molecular formula C8H10N2O3S and a molecular weight of 214.25 g/mol. Its IUPAC name is ethyl 2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoacetate
PubChem CID2914163
Molecular FormulaC8H10N2O3S
Molecular Weight214.25 g/mol
Exact Mass214.04
IUPAC Nameethyl 2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoacetate
SMILESCCOC(=O)C(=O)Nc1nc(C)cs1
InChIInChI=1S/C8H10N2O3S/c1-3-13-7(12)6(11)10-8-9-5(2)4-14-8/h4H,3H2,1-2H3,(H,9,10,11)
InChIKeyMTWVCWHQJRVUEX-UHFFFAOYSA-N
XLogP0.95
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.25
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 2-acetamido-1,3-thiazole-4-carboxylate
CID 702548
N-(4-methyl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 24687231
2-Acetylamino-3,3,3-trifluoro-2-(4-methyl-thiazol-2-ylamino)-propionic acid methyl ester
CID 3842659
3,3,3-Trifluoro-2-(4-methyl-thiazol-2-ylamino)-2-propionylamino-propionic acid methyl ester
CID 3496405
CID 16195095
CID 16195095
Ethyl 4,5-dimethylthiazol-2-ylcarbamoylcarboxylate
CID 12831776
2-(2-methoxyethylamino)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 3229599
Ethyl {[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino}(oxo)acetate
CID 2205903
(2-Acetamido-1,3-thiazol-4-yl)methyl 2-methoxyacetate
CID 29763638
Propyl 2-acetamido-1,3-thiazole-4-carboxylate
CID 46605335
methyl 3,3,3-trifluoro-N-(4-methyl-1,3-thiazol-2-yl)-2-propanamidoalaninate
CID 1717058
methyl (2S)-3,3,3-trifluoro-2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-(propanoylamino)propanoate
CID 1717059

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoacetate?
The IUPAC name of ethyl 2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoacetate (CID 2914163) is ethyl 2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoacetate.
What is the SMILES notation for ethyl 2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoacetate?
The canonical SMILES for ethyl 2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoacetate is CCOC(=O)C(=O)Nc1nc(C)cs1.
What is the InChIKey of ethyl 2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoacetate?
The InChIKey is MTWVCWHQJRVUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3S/c1-3-13-7(12)6(11)10-8-9-5(2)4-14-8/h4H,3H2,1-2H3,(H,9,10,11).
What are the key properties of ethyl 2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoacetate?
ethyl 2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoacetate has a molecular weight of 214.25 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoacetate is sourced from PubChem (CID 2914163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).