ethane;2-methoxy-2-(1,3-thiazol-4-yl)acetic acid

C8H13NO3S — CID 153379520

IUPACethane;2-methoxy-2-(1,3-thiazol-4-yl)acetic acid
SMILESCC.COC(C(=O)O)c1cscn1
InChIInChI=1S/C6H7NO3S.C2H6/c1-10-5(6(8)9)4-2-11-3-7-4;1-2/h2-3,5H,1H3,(H,8,9);1-2H3
InChIKeyAFLOBBOMRUHKBX-UHFFFAOYSA-N
MW203.26 g/mol
LogP1.94
Rot. Bonds3

About ethane;2-methoxy-2-(1,3-thiazol-4-yl)acetic acid

ethane;2-methoxy-2-(1,3-thiazol-4-yl)acetic acid (PubChem CID 153379520) has the molecular formula C8H13NO3S and a molecular weight of 203.26 g/mol. Its IUPAC name is ethane;2-methoxy-2-(1,3-thiazol-4-yl)acetic acid.

Molecular Properties

Compound Nameethane;2-methoxy-2-(1,3-thiazol-4-yl)acetic acid
PubChem CID153379520
Molecular FormulaC8H13NO3S
Molecular Weight203.26 g/mol
Exact Mass203.06
IUPAC Nameethane;2-methoxy-2-(1,3-thiazol-4-yl)acetic acid
SMILESCC.COC(C(=O)O)c1cscn1
InChIInChI=1S/C6H7NO3S.C2H6/c1-10-5(6(8)9)4-2-11-3-7-4;1-2/h2-3,5H,1H3,(H,8,9);1-2H3
InChIKeyAFLOBBOMRUHKBX-UHFFFAOYSA-N
XLogP1.94
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methoxy-2-(1,3-thiazol-4-yl)acetic acid?
The IUPAC name of ethane;2-methoxy-2-(1,3-thiazol-4-yl)acetic acid (CID 153379520) is ethane;2-methoxy-2-(1,3-thiazol-4-yl)acetic acid.
What is the SMILES notation for ethane;2-methoxy-2-(1,3-thiazol-4-yl)acetic acid?
The canonical SMILES for ethane;2-methoxy-2-(1,3-thiazol-4-yl)acetic acid is CC.COC(C(=O)O)c1cscn1.
What is the InChIKey of ethane;2-methoxy-2-(1,3-thiazol-4-yl)acetic acid?
The InChIKey is AFLOBBOMRUHKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO3S.C2H6/c1-10-5(6(8)9)4-2-11-3-7-4;1-2/h2-3,5H,1H3,(H,8,9);1-2H3.
What are the key properties of ethane;2-methoxy-2-(1,3-thiazol-4-yl)acetic acid?
ethane;2-methoxy-2-(1,3-thiazol-4-yl)acetic acid has a molecular weight of 203.26 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methoxy-2-(1,3-thiazol-4-yl)acetic acid is sourced from PubChem (CID 153379520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).