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

C9H14N2O3S — CID 103199833

IUPAC5-amino-2-[(2-methylpropan-2-yl)oxymethyl]-1,3-thiazole-4-carboxylic acid
SMILESCC(C)(C)OCc1nc(C(=O)O)c(N)s1
InChIInChI=1S/C9H14N2O3S/c1-9(2,3)14-4-5-11-6(8(12)13)7(10)15-5/h4,10H2,1-3H3,(H,12,13)
InChIKeyQCUGHDRPNOQCPW-UHFFFAOYSA-N
MW230.29 g/mol
LogP1.74
Rot. Bonds3

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

5-amino-2-[(2-methylpropan-2-yl)oxymethyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 103199833) has the molecular formula C9H14N2O3S and a molecular weight of 230.29 g/mol. Its IUPAC name is 5-amino-2-[(2-methylpropan-2-yl)oxymethyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-amino-2-[(2-methylpropan-2-yl)oxymethyl]-1,3-thiazole-4-carboxylic acid
PubChem CID103199833
Molecular FormulaC9H14N2O3S
Molecular Weight230.29 g/mol
Exact Mass230.07
IUPAC Name5-amino-2-[(2-methylpropan-2-yl)oxymethyl]-1,3-thiazole-4-carboxylic acid
SMILESCC(C)(C)OCc1nc(C(=O)O)c(N)s1
InChIInChI=1S/C9H14N2O3S/c1-9(2,3)14-4-5-11-6(8(12)13)7(10)15-5/h4,10H2,1-3H3,(H,12,13)
InChIKeyQCUGHDRPNOQCPW-UHFFFAOYSA-N
XLogP1.74
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(2-methylpropan-2-yl)oxymethyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-amino-2-[(2-methylpropan-2-yl)oxymethyl]-1,3-thiazole-4-carboxylic acid (CID 103199833) is 5-amino-2-[(2-methylpropan-2-yl)oxymethyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-amino-2-[(2-methylpropan-2-yl)oxymethyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-amino-2-[(2-methylpropan-2-yl)oxymethyl]-1,3-thiazole-4-carboxylic acid is CC(C)(C)OCc1nc(C(=O)O)c(N)s1.
What is the InChIKey of 5-amino-2-[(2-methylpropan-2-yl)oxymethyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is QCUGHDRPNOQCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3S/c1-9(2,3)14-4-5-11-6(8(12)13)7(10)15-5/h4,10H2,1-3H3,(H,12,13).
What are the key properties of 5-amino-2-[(2-methylpropan-2-yl)oxymethyl]-1,3-thiazole-4-carboxylic acid?
5-amino-2-[(2-methylpropan-2-yl)oxymethyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 230.29 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(2-methylpropan-2-yl)oxymethyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 103199833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).