2-(2-amino-1,3-thiazol-4-yl)-2-oxoacetaldehyde;methanol

C6H8N2O3S — CID 145366322

IUPAC2-(2-amino-1,3-thiazol-4-yl)-2-oxoacetaldehyde;methanol
SMILESCO.Nc1nc(C(=O)C=O)cs1
InChIInChI=1S/C5H4N2O2S.CH4O/c6-5-7-3(2-10-5)4(9)1-8;1-2/h1-2H,(H2,6,7);2H,1H3
InChIKeyDERNVSCKCXABSM-UHFFFAOYSA-N
MW188.21 g/mol
LogP-0.28
Rot. Bonds2

About 2-(2-amino-1,3-thiazol-4-yl)-2-oxoacetaldehyde;methanol

2-(2-amino-1,3-thiazol-4-yl)-2-oxoacetaldehyde;methanol (PubChem CID 145366322) has the molecular formula C6H8N2O3S and a molecular weight of 188.21 g/mol. Its IUPAC name is 2-(2-amino-1,3-thiazol-4-yl)-2-oxoacetaldehyde;methanol.

Molecular Properties

Compound Name2-(2-amino-1,3-thiazol-4-yl)-2-oxoacetaldehyde;methanol
PubChem CID145366322
Molecular FormulaC6H8N2O3S
Molecular Weight188.21 g/mol
Exact Mass188.03
IUPAC Name2-(2-amino-1,3-thiazol-4-yl)-2-oxoacetaldehyde;methanol
SMILESCO.Nc1nc(C(=O)C=O)cs1
InChIInChI=1S/C5H4N2O2S.CH4O/c6-5-7-3(2-10-5)4(9)1-8;1-2/h1-2H,(H2,6,7);2H,1H3
InChIKeyDERNVSCKCXABSM-UHFFFAOYSA-N
XLogP-0.28
TPSA93.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.21
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-2-oxoacetaldehyde;methanol?
The IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-2-oxoacetaldehyde;methanol (CID 145366322) is 2-(2-amino-1,3-thiazol-4-yl)-2-oxoacetaldehyde;methanol.
What is the SMILES notation for 2-(2-amino-1,3-thiazol-4-yl)-2-oxoacetaldehyde;methanol?
The canonical SMILES for 2-(2-amino-1,3-thiazol-4-yl)-2-oxoacetaldehyde;methanol is CO.Nc1nc(C(=O)C=O)cs1.
What is the InChIKey of 2-(2-amino-1,3-thiazol-4-yl)-2-oxoacetaldehyde;methanol?
The InChIKey is DERNVSCKCXABSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N2O2S.CH4O/c6-5-7-3(2-10-5)4(9)1-8;1-2/h1-2H,(H2,6,7);2H,1H3.
What are the key properties of 2-(2-amino-1,3-thiazol-4-yl)-2-oxoacetaldehyde;methanol?
2-(2-amino-1,3-thiazol-4-yl)-2-oxoacetaldehyde;methanol has a molecular weight of 188.21 g/mol, XLogP of -0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-1,3-thiazol-4-yl)-2-oxoacetaldehyde;methanol is sourced from PubChem (CID 145366322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).