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

C10H13NO4S — CID 66917505

IUPAC2-[2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazol-4-yl]acetic acid
SMILESCC(C)(C)OC(=O)c1nc(CC(=O)O)cs1
InChIInChI=1S/C10H13NO4S/c1-10(2,3)15-9(14)8-11-6(5-16-8)4-7(12)13/h5H,4H2,1-3H3,(H,12,13)
InChIKeyZIURQJPFEVNLGX-UHFFFAOYSA-N
MW243.28 g/mol
LogP1.73
Rot. Bonds3

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

2-[2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazol-4-yl]acetic acid (PubChem CID 66917505) has the molecular formula C10H13NO4S and a molecular weight of 243.28 g/mol. Its IUPAC name is 2-[2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazol-4-yl]acetic acid
PubChem CID66917505
Molecular FormulaC10H13NO4S
Molecular Weight243.28 g/mol
Exact Mass243.06
IUPAC Name2-[2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazol-4-yl]acetic acid
SMILESCC(C)(C)OC(=O)c1nc(CC(=O)O)cs1
InChIInChI=1S/C10H13NO4S/c1-10(2,3)15-9(14)8-11-6(5-16-8)4-7(12)13/h5H,4H2,1-3H3,(H,12,13)
InChIKeyZIURQJPFEVNLGX-UHFFFAOYSA-N
XLogP1.73
TPSA76.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(3,3-dimethylbutyl)-1,3-thiazol-4-yl]acetic acid
CID 59238394
2-[2-(2,2-dimethylpropyl)-1,3-thiazol-4-yl]acetic acid
CID 63892978
2-[2-(1,1-difluoroethyl)-1,3-thiazol-4-yl]acetic acid
CID 84779358
2-[2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazol-5-yl]acetic acid
CID 71744301
2-[2-(2-methylprop-2-enyl)-1,3-thiazol-4-yl]acetic acid
CID 82054960
2-[2-[2-(4-ethylphenoxy)acetyl]-1,3-thiazol-4-yl]acetic acid
CID 9159479
2-[2-[2-(3,5-dimethylphenoxy)acetyl]-1,3-thiazol-4-yl]acetic acid
CID 9159485
2-(2-ethoxy-1,3-thiazol-4-yl)acetic acid
CID 83876777
2-[2-(3-ethoxypentan-3-yl)-1,3-thiazol-4-yl]acetic acid
CID 116744488
2-(2-carbamimidoyl-1,3-thiazol-4-yl)acetic acid;hydrochloride
CID 140675778
2-[2-[2-(2-tert-butyl-4-methylphenoxy)acetyl]-1,3-thiazol-4-yl]acetic acid
CID 9159594
methyl 4-(hydroxymethyl)-1,3-thiazole-2-carboxylate
CID 121307713

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazol-4-yl]acetic acid (CID 66917505) is 2-[2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazol-4-yl]acetic acid is CC(C)(C)OC(=O)c1nc(CC(=O)O)cs1.
What is the InChIKey of 2-[2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazol-4-yl]acetic acid?
The InChIKey is ZIURQJPFEVNLGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4S/c1-10(2,3)15-9(14)8-11-6(5-16-8)4-7(12)13/h5H,4H2,1-3H3,(H,12,13).
What are the key properties of 2-[2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazol-4-yl]acetic acid?
2-[2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazol-4-yl]acetic acid has a molecular weight of 243.28 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 66917505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).