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

C9H12N2O4S — CID 53445151

IUPAC2-amino-5-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazole-4-carboxylic acid
SMILESCC(C)(C)OC(=O)c1sc(N)nc1C(=O)O
InChIInChI=1S/C9H12N2O4S/c1-9(2,3)15-7(14)5-4(6(12)13)11-8(10)16-5/h1-3H3,(H2,10,11)(H,12,13)
InChIKeyHFKARTWRVNPGGL-UHFFFAOYSA-N
MW244.27 g/mol
LogP1.38
Rot. Bonds2

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

2-amino-5-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 53445151) has the molecular formula C9H12N2O4S and a molecular weight of 244.27 g/mol. Its IUPAC name is 2-amino-5-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-amino-5-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazole-4-carboxylic acid
PubChem CID53445151
Molecular FormulaC9H12N2O4S
Molecular Weight244.27 g/mol
Exact Mass244.05
IUPAC Name2-amino-5-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazole-4-carboxylic acid
SMILESCC(C)(C)OC(=O)c1sc(N)nc1C(=O)O
InChIInChI=1S/C9H12N2O4S/c1-9(2,3)15-7(14)5-4(6(12)13)11-8(10)16-5/h1-3H3,(H2,10,11)(H,12,13)
InChIKeyHFKARTWRVNPGGL-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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-amino-5-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazole-4-carboxylic acid (CID 53445151) is 2-amino-5-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-amino-5-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-amino-5-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazole-4-carboxylic acid is CC(C)(C)OC(=O)c1sc(N)nc1C(=O)O.
What is the InChIKey of 2-amino-5-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is HFKARTWRVNPGGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4S/c1-9(2,3)15-7(14)5-4(6(12)13)11-8(10)16-5/h1-3H3,(H2,10,11)(H,12,13).
What are the key properties of 2-amino-5-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazole-4-carboxylic acid?
2-amino-5-[(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 2-amino-5-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 53445151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).