(2Z)-2-(1,3-dihydroxy-2-methylpropan-2-yl)oxyimino-2-(2-methyl-1,3-thiazol-4-yl)acetic acid

C10H14N2O5S — CID 135193885

IUPAC(2Z)-2-(1,3-dihydroxy-2-methylpropan-2-yl)oxyimino-2-(2-methyl-1,3-thiazol-4-yl)acetic acid
SMILESCc1nc(/C(=N/OC(C)(CO)CO)C(=O)O)cs1
InChIInChI=1S/C10H14N2O5S/c1-6-11-7(3-18-6)8(9(15)16)12-17-10(2,4-13)5-14/h3,13-14H,4-5H2,1-2H3,(H,15,16)/b12-8-
InChIKeyGXXYBHSJQZUWJM-WQLSENKSSA-N
MW274.30 g/mol
LogP0.00
Rot. Bonds6

About (2Z)-2-(1,3-dihydroxy-2-methylpropan-2-yl)oxyimino-2-(2-methyl-1,3-thiazol-4-yl)acetic acid

(2Z)-2-(1,3-dihydroxy-2-methylpropan-2-yl)oxyimino-2-(2-methyl-1,3-thiazol-4-yl)acetic acid (PubChem CID 135193885) has the molecular formula C10H14N2O5S and a molecular weight of 274.30 g/mol. Its IUPAC name is (2Z)-2-(1,3-dihydroxy-2-methylpropan-2-yl)oxyimino-2-(2-methyl-1,3-thiazol-4-yl)acetic acid.

Molecular Properties

Compound Name(2Z)-2-(1,3-dihydroxy-2-methylpropan-2-yl)oxyimino-2-(2-methyl-1,3-thiazol-4-yl)acetic acid
PubChem CID135193885
Molecular FormulaC10H14N2O5S
Molecular Weight274.30 g/mol
Exact Mass274.06
IUPAC Name(2Z)-2-(1,3-dihydroxy-2-methylpropan-2-yl)oxyimino-2-(2-methyl-1,3-thiazol-4-yl)acetic acid
SMILESCc1nc(/C(=N/OC(C)(CO)CO)C(=O)O)cs1
InChIInChI=1S/C10H14N2O5S/c1-6-11-7(3-18-6)8(9(15)16)12-17-10(2,4-13)5-14/h3,13-14H,4-5H2,1-2H3,(H,15,16)/b12-8-
InChIKeyGXXYBHSJQZUWJM-WQLSENKSSA-N
XLogP0.00
TPSA112.24 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 50.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(1,3-dihydroxy-2-methylpropan-2-yl)oxyimino-2-(2-methyl-1,3-thiazol-4-yl)acetic acid?
The IUPAC name of (2Z)-2-(1,3-dihydroxy-2-methylpropan-2-yl)oxyimino-2-(2-methyl-1,3-thiazol-4-yl)acetic acid (CID 135193885) is (2Z)-2-(1,3-dihydroxy-2-methylpropan-2-yl)oxyimino-2-(2-methyl-1,3-thiazol-4-yl)acetic acid.
What is the SMILES notation for (2Z)-2-(1,3-dihydroxy-2-methylpropan-2-yl)oxyimino-2-(2-methyl-1,3-thiazol-4-yl)acetic acid?
The canonical SMILES for (2Z)-2-(1,3-dihydroxy-2-methylpropan-2-yl)oxyimino-2-(2-methyl-1,3-thiazol-4-yl)acetic acid is Cc1nc(/C(=N/OC(C)(CO)CO)C(=O)O)cs1.
What is the InChIKey of (2Z)-2-(1,3-dihydroxy-2-methylpropan-2-yl)oxyimino-2-(2-methyl-1,3-thiazol-4-yl)acetic acid?
The InChIKey is GXXYBHSJQZUWJM-WQLSENKSSA-N. The full InChI is InChI=1S/C10H14N2O5S/c1-6-11-7(3-18-6)8(9(15)16)12-17-10(2,4-13)5-14/h3,13-14H,4-5H2,1-2H3,(H,15,16)/b12-8-.
What are the key properties of (2Z)-2-(1,3-dihydroxy-2-methylpropan-2-yl)oxyimino-2-(2-methyl-1,3-thiazol-4-yl)acetic acid?
(2Z)-2-(1,3-dihydroxy-2-methylpropan-2-yl)oxyimino-2-(2-methyl-1,3-thiazol-4-yl)acetic acid has a molecular weight of 274.30 g/mol, XLogP of 0.00, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(1,3-dihydroxy-2-methylpropan-2-yl)oxyimino-2-(2-methyl-1,3-thiazol-4-yl)acetic acid is sourced from PubChem (CID 135193885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).