2-[(2-methylpropan-2-yl)oxy]-2-(1,3-thiazol-4-yl)acetic acid

C9H13NO3S — CID 153300989

IUPAC2-[(2-methylpropan-2-yl)oxy]-2-(1,3-thiazol-4-yl)acetic acid
SMILESCC(C)(C)OC(C(=O)O)c1cscn1
InChIInChI=1S/C9H13NO3S/c1-9(2,3)13-7(8(11)12)6-4-14-5-10-6/h4-5,7H,1-3H3,(H,11,12)
InChIKeyHZTOTLQJERXDTR-UHFFFAOYSA-N
MW215.27 g/mol
LogP2.08
Rot. Bonds3

About 2-[(2-methylpropan-2-yl)oxy]-2-(1,3-thiazol-4-yl)acetic acid

2-[(2-methylpropan-2-yl)oxy]-2-(1,3-thiazol-4-yl)acetic acid (PubChem CID 153300989) has the molecular formula C9H13NO3S and a molecular weight of 215.27 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxy]-2-(1,3-thiazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxy]-2-(1,3-thiazol-4-yl)acetic acid
PubChem CID153300989
Molecular FormulaC9H13NO3S
Molecular Weight215.27 g/mol
Exact Mass215.06
IUPAC Name2-[(2-methylpropan-2-yl)oxy]-2-(1,3-thiazol-4-yl)acetic acid
SMILESCC(C)(C)OC(C(=O)O)c1cscn1
InChIInChI=1S/C9H13NO3S/c1-9(2,3)13-7(8(11)12)6-4-14-5-10-6/h4-5,7H,1-3H3,(H,11,12)
InChIKeyHZTOTLQJERXDTR-UHFFFAOYSA-N
XLogP2.08
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxy]-2-(1,3-thiazol-4-yl)acetic acid?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxy]-2-(1,3-thiazol-4-yl)acetic acid (CID 153300989) is 2-[(2-methylpropan-2-yl)oxy]-2-(1,3-thiazol-4-yl)acetic acid.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxy]-2-(1,3-thiazol-4-yl)acetic acid?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxy]-2-(1,3-thiazol-4-yl)acetic acid is CC(C)(C)OC(C(=O)O)c1cscn1.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxy]-2-(1,3-thiazol-4-yl)acetic acid?
The InChIKey is HZTOTLQJERXDTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3S/c1-9(2,3)13-7(8(11)12)6-4-14-5-10-6/h4-5,7H,1-3H3,(H,11,12).
What are the key properties of 2-[(2-methylpropan-2-yl)oxy]-2-(1,3-thiazol-4-yl)acetic acid?
2-[(2-methylpropan-2-yl)oxy]-2-(1,3-thiazol-4-yl)acetic acid has a molecular weight of 215.27 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxy]-2-(1,3-thiazol-4-yl)acetic acid is sourced from PubChem (CID 153300989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).