2-[methyl(2-oxopropyl)amino]-1,3-thiazole-5-carboxylic acid

C8H10N2O3S — CID 118959240

IUPAC2-[methyl(2-oxopropyl)amino]-1,3-thiazole-5-carboxylic acid
SMILESCC(=O)CN(C)c1ncc(C(=O)O)s1
InChIInChI=1S/C8H10N2O3S/c1-5(11)4-10(2)8-9-3-6(14-8)7(12)13/h3H,4H2,1-2H3,(H,12,13)
InChIKeyYYFLISBYDIVISM-UHFFFAOYSA-N
MW214.25 g/mol
LogP0.87
Rot. Bonds4

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

2-[methyl(2-oxopropyl)amino]-1,3-thiazole-5-carboxylic acid (PubChem CID 118959240) has the molecular formula C8H10N2O3S and a molecular weight of 214.25 g/mol. Its IUPAC name is 2-[methyl(2-oxopropyl)amino]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[methyl(2-oxopropyl)amino]-1,3-thiazole-5-carboxylic acid
PubChem CID118959240
Molecular FormulaC8H10N2O3S
Molecular Weight214.25 g/mol
Exact Mass214.04
IUPAC Name2-[methyl(2-oxopropyl)amino]-1,3-thiazole-5-carboxylic acid
SMILESCC(=O)CN(C)c1ncc(C(=O)O)s1
InChIInChI=1S/C8H10N2O3S/c1-5(11)4-10(2)8-9-3-6(14-8)7(12)13/h3H,4H2,1-2H3,(H,12,13)
InChIKeyYYFLISBYDIVISM-UHFFFAOYSA-N
XLogP0.87
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.25
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(2-oxopropyl)amino]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[methyl(2-oxopropyl)amino]-1,3-thiazole-5-carboxylic acid (CID 118959240) is 2-[methyl(2-oxopropyl)amino]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[methyl(2-oxopropyl)amino]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[methyl(2-oxopropyl)amino]-1,3-thiazole-5-carboxylic acid is CC(=O)CN(C)c1ncc(C(=O)O)s1.
What is the InChIKey of 2-[methyl(2-oxopropyl)amino]-1,3-thiazole-5-carboxylic acid?
The InChIKey is YYFLISBYDIVISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3S/c1-5(11)4-10(2)8-9-3-6(14-8)7(12)13/h3H,4H2,1-2H3,(H,12,13).
What are the key properties of 2-[methyl(2-oxopropyl)amino]-1,3-thiazole-5-carboxylic acid?
2-[methyl(2-oxopropyl)amino]-1,3-thiazole-5-carboxylic acid has a molecular weight of 214.25 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(2-oxopropyl)amino]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 118959240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).