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

C12H16N2O3S — CID 106697044

IUPAC5-acetyl-2-[1-cyclopropylethyl(methyl)amino]-1,3-thiazole-4-carboxylic acid
SMILESCC(=O)c1sc(N(C)C(C)C2CC2)nc1C(=O)O
InChIInChI=1S/C12H16N2O3S/c1-6(8-4-5-8)14(3)12-13-9(11(16)17)10(18-12)7(2)15/h6,8H,4-5H2,1-3H3,(H,16,17)
InChIKeyQJQOWBCMOBIYSR-UHFFFAOYSA-N
MW268.34 g/mol
LogP2.28
Rot. Bonds5

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

5-acetyl-2-[1-cyclopropylethyl(methyl)amino]-1,3-thiazole-4-carboxylic acid (PubChem CID 106697044) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is 5-acetyl-2-[1-cyclopropylethyl(methyl)amino]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-acetyl-2-[1-cyclopropylethyl(methyl)amino]-1,3-thiazole-4-carboxylic acid
PubChem CID106697044
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC Name5-acetyl-2-[1-cyclopropylethyl(methyl)amino]-1,3-thiazole-4-carboxylic acid
SMILESCC(=O)c1sc(N(C)C(C)C2CC2)nc1C(=O)O
InChIInChI=1S/C12H16N2O3S/c1-6(8-4-5-8)14(3)12-13-9(11(16)17)10(18-12)7(2)15/h6,8H,4-5H2,1-3H3,(H,16,17)
InChIKeyQJQOWBCMOBIYSR-UHFFFAOYSA-N
XLogP2.28
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-acetyl-2-[methyl(3-methylbutan-2-yl)amino]-1,3-thiazole-4-carboxylic acid
CID 106697062
5-acetyl-2-[methyl(oxan-4-yl)amino]-1,3-thiazole-4-carboxylic acid
CID 106697069
methyl 2-[1-cyclopropylethyl(methyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 80570466
5-acetyl-2-[cyclopropyl(3-methylbutyl)amino]-1,3-thiazole-4-carboxylic acid
CID 106697473
ethyl 2-[1-cyclopropylethyl(methyl)amino]-5-methyl-1,3-thiazole-4-carboxylate
CID 116526532
5-acetyl-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-1,3-thiazole-4-carboxylic acid
CID 106697870
5-acetyl-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1,3-thiazole-4-carboxylic acid
CID 106697867
5-acetyl-2-[cyclopropyl(2-methoxyethyl)amino]-1,3-thiazole-4-carboxylic acid
CID 106697259
5-acetyl-2-(4-methoxy-N-methylanilino)-1,3-thiazole-4-carboxylic acid
CID 106697276
5-acetyl-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazole-4-carboxylic acid
CID 106696419
2-[1-cyclopropylethyl(2-methoxyethyl)amino]-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115423992
5-acetyl-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1,3-thiazole-4-carboxylic acid
CID 106697376

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-2-[1-cyclopropylethyl(methyl)amino]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-acetyl-2-[1-cyclopropylethyl(methyl)amino]-1,3-thiazole-4-carboxylic acid (CID 106697044) is 5-acetyl-2-[1-cyclopropylethyl(methyl)amino]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-acetyl-2-[1-cyclopropylethyl(methyl)amino]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-acetyl-2-[1-cyclopropylethyl(methyl)amino]-1,3-thiazole-4-carboxylic acid is CC(=O)c1sc(N(C)C(C)C2CC2)nc1C(=O)O.
What is the InChIKey of 5-acetyl-2-[1-cyclopropylethyl(methyl)amino]-1,3-thiazole-4-carboxylic acid?
The InChIKey is QJQOWBCMOBIYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c1-6(8-4-5-8)14(3)12-13-9(11(16)17)10(18-12)7(2)15/h6,8H,4-5H2,1-3H3,(H,16,17).
What are the key properties of 5-acetyl-2-[1-cyclopropylethyl(methyl)amino]-1,3-thiazole-4-carboxylic acid?
5-acetyl-2-[1-cyclopropylethyl(methyl)amino]-1,3-thiazole-4-carboxylic acid has a molecular weight of 268.34 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-2-[1-cyclopropylethyl(methyl)amino]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 106697044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).