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

C12H16N2O4S — CID 106697069

IUPAC5-acetyl-2-[methyl(oxan-4-yl)amino]-1,3-thiazole-4-carboxylic acid
SMILESCC(=O)c1sc(N(C)C2CCOCC2)nc1C(=O)O
InChIInChI=1S/C12H16N2O4S/c1-7(15)10-9(11(16)17)13-12(19-10)14(2)8-3-5-18-6-4-8/h8H,3-6H2,1-2H3,(H,16,17)
InChIKeyCCUOLIKCMQPVPT-UHFFFAOYSA-N
MW284.34 g/mol
LogP1.66
Rot. Bonds4

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

5-acetyl-2-[methyl(oxan-4-yl)amino]-1,3-thiazole-4-carboxylic acid (PubChem CID 106697069) has the molecular formula C12H16N2O4S and a molecular weight of 284.34 g/mol. Its IUPAC name is 5-acetyl-2-[methyl(oxan-4-yl)amino]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-acetyl-2-[methyl(oxan-4-yl)amino]-1,3-thiazole-4-carboxylic acid
PubChem CID106697069
Molecular FormulaC12H16N2O4S
Molecular Weight284.34 g/mol
Exact Mass284.08
IUPAC Name5-acetyl-2-[methyl(oxan-4-yl)amino]-1,3-thiazole-4-carboxylic acid
SMILESCC(=O)c1sc(N(C)C2CCOCC2)nc1C(=O)O
InChIInChI=1S/C12H16N2O4S/c1-7(15)10-9(11(16)17)13-12(19-10)14(2)8-3-5-18-6-4-8/h8H,3-6H2,1-2H3,(H,16,17)
InChIKeyCCUOLIKCMQPVPT-UHFFFAOYSA-N
XLogP1.66
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
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

4-methyl-2-[methyl(oxan-4-yl)amino]-1,3-thiazole-5-carboxylic acid
CID 62764084
methyl 5-acetyl-2-[methyl(oxolan-3-yl)amino]-1,3-thiazole-4-carboxylate
CID 106697962
5-acetyl-2-[1-cyclopropylethyl(methyl)amino]-1,3-thiazole-4-carboxylic acid
CID 106697044
5-acetyl-2-[cyclopropyl(3-methylbutyl)amino]-1,3-thiazole-4-carboxylic acid
CID 106697473
5-acetyl-2-[methyl(3-methylbutan-2-yl)amino]-1,3-thiazole-4-carboxylic acid
CID 106697062
5-acetyl-2-(4-methoxy-N-methylanilino)-1,3-thiazole-4-carboxylic acid
CID 106697276
2-[methyl(oxan-4-yl)amino]-1,3-thiazole-4-carboxylic acid
CID 80569084
5-acetyl-2-[cyclopropyl(2-methoxyethyl)amino]-1,3-thiazole-4-carboxylic acid
CID 106697259
5-acetyl-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1,3-thiazole-4-carboxylic acid
CID 106697867
ethyl 5-methyl-2-[methyl(oxolan-3-yl)amino]-1,3-thiazole-4-carboxylate
CID 116527049
methyl 5-acetyl-2-[methyl-(2-methyloxolan-3-yl)amino]-1,3-thiazole-4-carboxylate
CID 106697961
5-acetyl-2-(3-methoxy-N-methylanilino)-1,3-thiazole-4-carboxylic acid
CID 106697183

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-2-[methyl(oxan-4-yl)amino]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-acetyl-2-[methyl(oxan-4-yl)amino]-1,3-thiazole-4-carboxylic acid (CID 106697069) is 5-acetyl-2-[methyl(oxan-4-yl)amino]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-acetyl-2-[methyl(oxan-4-yl)amino]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-acetyl-2-[methyl(oxan-4-yl)amino]-1,3-thiazole-4-carboxylic acid is CC(=O)c1sc(N(C)C2CCOCC2)nc1C(=O)O.
What is the InChIKey of 5-acetyl-2-[methyl(oxan-4-yl)amino]-1,3-thiazole-4-carboxylic acid?
The InChIKey is CCUOLIKCMQPVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4S/c1-7(15)10-9(11(16)17)13-12(19-10)14(2)8-3-5-18-6-4-8/h8H,3-6H2,1-2H3,(H,16,17).
What are the key properties of 5-acetyl-2-[methyl(oxan-4-yl)amino]-1,3-thiazole-4-carboxylic acid?
5-acetyl-2-[methyl(oxan-4-yl)amino]-1,3-thiazole-4-carboxylic acid has a molecular weight of 284.34 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-2-[methyl(oxan-4-yl)amino]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 106697069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).