5-acetyl-2-[cyclopropyl(2-methoxyethyl)amino]-1,3-thiazole-4-carboxylic acid

C12H16N2O4S — CID 106697259

IUPAC5-acetyl-2-[cyclopropyl(2-methoxyethyl)amino]-1,3-thiazole-4-carboxylic acid
SMILESCOCCN(c1nc(C(=O)O)c(C(C)=O)s1)C1CC1
InChIInChI=1S/C12H16N2O4S/c1-7(15)10-9(11(16)17)13-12(19-10)14(5-6-18-2)8-3-4-8/h8H,3-6H2,1-2H3,(H,16,17)
InChIKeyIWXDEGCMBNZUIF-UHFFFAOYSA-N
MW284.34 g/mol
LogP1.66
Rot. Bonds7

About 5-acetyl-2-[cyclopropyl(2-methoxyethyl)amino]-1,3-thiazole-4-carboxylic acid

5-acetyl-2-[cyclopropyl(2-methoxyethyl)amino]-1,3-thiazole-4-carboxylic acid (PubChem CID 106697259) has the molecular formula C12H16N2O4S and a molecular weight of 284.34 g/mol. Its IUPAC name is 5-acetyl-2-[cyclopropyl(2-methoxyethyl)amino]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-acetyl-2-[cyclopropyl(2-methoxyethyl)amino]-1,3-thiazole-4-carboxylic acid
PubChem CID106697259
Molecular FormulaC12H16N2O4S
Molecular Weight284.34 g/mol
Exact Mass284.08
IUPAC Name5-acetyl-2-[cyclopropyl(2-methoxyethyl)amino]-1,3-thiazole-4-carboxylic acid
SMILESCOCCN(c1nc(C(=O)O)c(C(C)=O)s1)C1CC1
InChIInChI=1S/C12H16N2O4S/c1-7(15)10-9(11(16)17)13-12(19-10)14(5-6-18-2)8-3-4-8/h8H,3-6H2,1-2H3,(H,16,17)
InChIKeyIWXDEGCMBNZUIF-UHFFFAOYSA-N
XLogP1.66
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[cyclopropyl(2-methoxyethyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone
CID 62750474
5-acetyl-2-[cyclopropyl(3-methylbutyl)amino]-1,3-thiazole-4-carboxylic acid
CID 106697473
methyl 2-[cyclopropyl(2-methoxyethyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 80569715
1-[2-[cyclopropyl(2-methoxyethyl)amino]-1,3-thiazol-4-yl]ethanone
CID 64543634
5-acetyl-2-(methoxymethyl)-1,3-thiazole-4-carboxylic acid
CID 106696340
5-acetyl-2-[methyl(oxan-4-yl)amino]-1,3-thiazole-4-carboxylic acid
CID 106697069
5-acetyl-2-(4-methoxy-N-methylanilino)-1,3-thiazole-4-carboxylic acid
CID 106697276
ethyl 5-acetyl-2-[cyclopentyl(ethyl)amino]-1,3-thiazole-4-carboxylate
CID 107377280
5-acetyl-2-[1-cyclopropylethyl(methyl)amino]-1,3-thiazole-4-carboxylic acid
CID 106697044
5-acetyl-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1,3-thiazole-4-carboxylic acid
CID 106697867
5-acetyl-2-(3-methoxy-N-methylanilino)-1,3-thiazole-4-carboxylic acid
CID 106697183
5-acetyl-2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-4-carboxylic acid
CID 106697143

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-2-[cyclopropyl(2-methoxyethyl)amino]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-acetyl-2-[cyclopropyl(2-methoxyethyl)amino]-1,3-thiazole-4-carboxylic acid (CID 106697259) is 5-acetyl-2-[cyclopropyl(2-methoxyethyl)amino]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-acetyl-2-[cyclopropyl(2-methoxyethyl)amino]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-acetyl-2-[cyclopropyl(2-methoxyethyl)amino]-1,3-thiazole-4-carboxylic acid is COCCN(c1nc(C(=O)O)c(C(C)=O)s1)C1CC1.
What is the InChIKey of 5-acetyl-2-[cyclopropyl(2-methoxyethyl)amino]-1,3-thiazole-4-carboxylic acid?
The InChIKey is IWXDEGCMBNZUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4S/c1-7(15)10-9(11(16)17)13-12(19-10)14(5-6-18-2)8-3-4-8/h8H,3-6H2,1-2H3,(H,16,17).
What are the key properties of 5-acetyl-2-[cyclopropyl(2-methoxyethyl)amino]-1,3-thiazole-4-carboxylic acid?
5-acetyl-2-[cyclopropyl(2-methoxyethyl)amino]-1,3-thiazole-4-carboxylic acid has a molecular weight of 284.34 g/mol, XLogP of 1.66, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-2-[cyclopropyl(2-methoxyethyl)amino]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 106697259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).