5-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazole-4-carboxylic acid

C9H12N2O4S — CID 53249744

IUPAC5-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazole-4-carboxylic acid
SMILESCC(C)(C)OC(=O)c1nc(C(=O)O)c(N)s1
InChIInChI=1S/C9H12N2O4S/c1-9(2,3)15-8(14)6-11-4(7(12)13)5(10)16-6/h10H2,1-3H3,(H,12,13)
InChIKeyPLACCPBQGUANTG-UHFFFAOYSA-N
MW244.27 g/mol
LogP1.38
Rot. Bonds2

About 5-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazole-4-carboxylic acid

5-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 53249744) has the molecular formula C9H12N2O4S and a molecular weight of 244.27 g/mol. Its IUPAC name is 5-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazole-4-carboxylic acid
PubChem CID53249744
Molecular FormulaC9H12N2O4S
Molecular Weight244.27 g/mol
Exact Mass244.05
IUPAC Name5-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazole-4-carboxylic acid
SMILESCC(C)(C)OC(=O)c1nc(C(=O)O)c(N)s1
InChIInChI=1S/C9H12N2O4S/c1-9(2,3)15-8(14)6-11-4(7(12)13)5(10)16-6/h10H2,1-3H3,(H,12,13)
InChIKeyPLACCPBQGUANTG-UHFFFAOYSA-N
XLogP1.38
TPSA102.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazole-4-carboxylic acid (CID 53249744) is 5-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazole-4-carboxylic acid is CC(C)(C)OC(=O)c1nc(C(=O)O)c(N)s1.
What is the InChIKey of 5-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is PLACCPBQGUANTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4S/c1-9(2,3)15-8(14)6-11-4(7(12)13)5(10)16-6/h10H2,1-3H3,(H,12,13).
What are the key properties of 5-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazole-4-carboxylic acid?
5-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 244.27 g/mol, XLogP of 1.38, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 53249744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).