2-[(2-ethoxy-2-oxoethyl)amino]-5-methyl-1,3-thiazole-4-carboxylic acid

C9H12N2O4S — CID 115423658

IUPAC2-[(2-ethoxy-2-oxoethyl)amino]-5-methyl-1,3-thiazole-4-carboxylic acid
SMILESCCOC(=O)CNc1nc(C(=O)O)c(C)s1
InChIInChI=1S/C9H12N2O4S/c1-3-15-6(12)4-10-9-11-7(8(13)14)5(2)16-9/h3-4H2,1-2H3,(H,10,11)(H,13,14)
InChIKeyJZXOOSLIVWNINU-UHFFFAOYSA-N
MW244.27 g/mol
LogP1.12
Rot. Bonds5

About 2-[(2-ethoxy-2-oxoethyl)amino]-5-methyl-1,3-thiazole-4-carboxylic acid

2-[(2-ethoxy-2-oxoethyl)amino]-5-methyl-1,3-thiazole-4-carboxylic acid (PubChem CID 115423658) has the molecular formula C9H12N2O4S and a molecular weight of 244.27 g/mol. Its IUPAC name is 2-[(2-ethoxy-2-oxoethyl)amino]-5-methyl-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[(2-ethoxy-2-oxoethyl)amino]-5-methyl-1,3-thiazole-4-carboxylic acid
PubChem CID115423658
Molecular FormulaC9H12N2O4S
Molecular Weight244.27 g/mol
Exact Mass244.05
IUPAC Name2-[(2-ethoxy-2-oxoethyl)amino]-5-methyl-1,3-thiazole-4-carboxylic acid
SMILESCCOC(=O)CNc1nc(C(=O)O)c(C)s1
InChIInChI=1S/C9H12N2O4S/c1-3-15-6(12)4-10-9-11-7(8(13)14)5(2)16-9/h3-4H2,1-2H3,(H,10,11)(H,13,14)
InChIKeyJZXOOSLIVWNINU-UHFFFAOYSA-N
XLogP1.12
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-ethoxypropylamino)-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115423281
5-methyl-2-[[2-oxo-2-(propylamino)ethyl]amino]-1,3-thiazole-4-carboxylic acid
CID 115423595
methyl 2-[(2-methoxy-2-oxoethyl)amino]-5-methyl-1,3-thiazole-4-carboxylate
CID 115423220
2-(cyclopentylmethylamino)-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115423521
5-methyl-2-(propanoylamino)-1,3-thiazole-4-carboxylic acid
CID 117097221
methyl 5-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-1,3-thiazole-4-carboxylate
CID 130179602
2-(tert-butylamino)-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115423000
5-methyl-2-[(3-methylthiophen-2-yl)methylamino]-1,3-thiazole-4-carboxylic acid
CID 115424902
ethyl 2-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]acetate
CID 3851603
ethyl 2-(tert-butylamino)-5-methyl-1,3-thiazole-4-carboxylate
CID 116526343
ethyl 2-(cyclopropylmethylamino)-5-methyl-1,3-thiazole-4-carboxylate
CID 116526353
5-methyl-2-(4,4,4-trifluorobutylamino)-1,3-thiazole-4-carboxylic acid
CID 115523007

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethoxy-2-oxoethyl)amino]-5-methyl-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[(2-ethoxy-2-oxoethyl)amino]-5-methyl-1,3-thiazole-4-carboxylic acid (CID 115423658) is 2-[(2-ethoxy-2-oxoethyl)amino]-5-methyl-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[(2-ethoxy-2-oxoethyl)amino]-5-methyl-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[(2-ethoxy-2-oxoethyl)amino]-5-methyl-1,3-thiazole-4-carboxylic acid is CCOC(=O)CNc1nc(C(=O)O)c(C)s1.
What is the InChIKey of 2-[(2-ethoxy-2-oxoethyl)amino]-5-methyl-1,3-thiazole-4-carboxylic acid?
The InChIKey is JZXOOSLIVWNINU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4S/c1-3-15-6(12)4-10-9-11-7(8(13)14)5(2)16-9/h3-4H2,1-2H3,(H,10,11)(H,13,14).
What are the key properties of 2-[(2-ethoxy-2-oxoethyl)amino]-5-methyl-1,3-thiazole-4-carboxylic acid?
2-[(2-ethoxy-2-oxoethyl)amino]-5-methyl-1,3-thiazole-4-carboxylic acid has a molecular weight of 244.27 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethoxy-2-oxoethyl)amino]-5-methyl-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 115423658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).