2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]acetic acid

C10H14N2O4S — CID 20623928

IUPAC2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]acetic acid
SMILESCC(C)(C)OC(=O)Nc1ncc(CC(=O)O)s1
InChIInChI=1S/C10H14N2O4S/c1-10(2,3)16-9(15)12-8-11-5-6(17-8)4-7(13)14/h5H,4H2,1-3H3,(H,13,14)(H,11,12,15)
InChIKeyHURLAKSDAZFWSW-UHFFFAOYSA-N
MW258.30 g/mol
LogP2.12
Rot. Bonds3

About 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]acetic acid

2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]acetic acid (PubChem CID 20623928) has the molecular formula C10H14N2O4S and a molecular weight of 258.30 g/mol. Its IUPAC name is 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]acetic acid
PubChem CID20623928
Molecular FormulaC10H14N2O4S
Molecular Weight258.30 g/mol
Exact Mass258.07
IUPAC Name2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]acetic acid
SMILESCC(C)(C)OC(=O)Nc1ncc(CC(=O)O)s1
InChIInChI=1S/C10H14N2O4S/c1-10(2,3)16-9(15)12-8-11-5-6(17-8)4-7(13)14/h5H,4H2,1-3H3,(H,13,14)(H,11,12,15)
InChIKeyHURLAKSDAZFWSW-UHFFFAOYSA-N
XLogP2.12
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]acetic acid (CID 20623928) is 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]acetic acid is CC(C)(C)OC(=O)Nc1ncc(CC(=O)O)s1.
What is the InChIKey of 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]acetic acid?
The InChIKey is HURLAKSDAZFWSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4S/c1-10(2,3)16-9(15)12-8-11-5-6(17-8)4-7(13)14/h5H,4H2,1-3H3,(H,13,14)(H,11,12,15).
What are the key properties of 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]acetic acid?
2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]acetic acid has a molecular weight of 258.30 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 20623928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).