4-methyl-2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]-1,3-thiazole-5-carboxylic acid

C11H13N3O4S — CID 80570685

IUPAC4-methyl-2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(NC2CCC(=O)N(C)C2=O)sc1C(=O)O
InChIInChI=1S/C11H13N3O4S/c1-5-8(10(17)18)19-11(12-5)13-6-3-4-7(15)14(2)9(6)16/h6H,3-4H2,1-2H3,(H,12,13)(H,17,18)
InChIKeyBAXGZPISPPOKSA-UHFFFAOYSA-N
MW283.31 g/mol
LogP0.71
Rot. Bonds3

About 4-methyl-2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]-1,3-thiazole-5-carboxylic acid

4-methyl-2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]-1,3-thiazole-5-carboxylic acid (PubChem CID 80570685) has the molecular formula C11H13N3O4S and a molecular weight of 283.31 g/mol. Its IUPAC name is 4-methyl-2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]-1,3-thiazole-5-carboxylic acid
PubChem CID80570685
Molecular FormulaC11H13N3O4S
Molecular Weight283.31 g/mol
Exact Mass283.06
IUPAC Name4-methyl-2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(NC2CCC(=O)N(C)C2=O)sc1C(=O)O
InChIInChI=1S/C11H13N3O4S/c1-5-8(10(17)18)19-11(12-5)13-6-3-4-7(15)14(2)9(6)16/h6H,3-4H2,1-2H3,(H,12,13)(H,17,18)
InChIKeyBAXGZPISPPOKSA-UHFFFAOYSA-N
XLogP0.71
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-methyl-2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]-1,3-thiazole-5-carboxylic acid (CID 80570685) is 4-methyl-2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-methyl-2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-methyl-2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]-1,3-thiazole-5-carboxylic acid is Cc1nc(NC2CCC(=O)N(C)C2=O)sc1C(=O)O.
What is the InChIKey of 4-methyl-2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]-1,3-thiazole-5-carboxylic acid?
The InChIKey is BAXGZPISPPOKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O4S/c1-5-8(10(17)18)19-11(12-5)13-6-3-4-7(15)14(2)9(6)16/h6H,3-4H2,1-2H3,(H,12,13)(H,17,18).
What are the key properties of 4-methyl-2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]-1,3-thiazole-5-carboxylic acid?
4-methyl-2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]-1,3-thiazole-5-carboxylic acid has a molecular weight of 283.31 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 80570685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).