2-(methoxydiazenyl)-2-(1,3-thiazol-2-yl)acetic acid

C6H7N3O3S — CID 19867523

IUPAC2-(methoxydiazenyl)-2-(1,3-thiazol-2-yl)acetic acid
SMILESCO/N=N/C(C(=O)O)c1nccs1
InChIInChI=1S/C6H7N3O3S/c1-12-9-8-4(6(10)11)5-7-2-3-13-5/h2-4H,1H3,(H,10,11)/b9-8+
InChIKeyJJKAKRPULSHHFM-CMDGGOBGSA-N
MW201.21 g/mol
LogP1.28
Rot. Bonds4

About 2-(methoxydiazenyl)-2-(1,3-thiazol-2-yl)acetic acid

2-(methoxydiazenyl)-2-(1,3-thiazol-2-yl)acetic acid (PubChem CID 19867523) has the molecular formula C6H7N3O3S and a molecular weight of 201.21 g/mol. Its IUPAC name is 2-(methoxydiazenyl)-2-(1,3-thiazol-2-yl)acetic acid.

Molecular Properties

Compound Name2-(methoxydiazenyl)-2-(1,3-thiazol-2-yl)acetic acid
PubChem CID19867523
Molecular FormulaC6H7N3O3S
Molecular Weight201.21 g/mol
Exact Mass201.02
IUPAC Name2-(methoxydiazenyl)-2-(1,3-thiazol-2-yl)acetic acid
SMILESCO/N=N/C(C(=O)O)c1nccs1
InChIInChI=1S/C6H7N3O3S/c1-12-9-8-4(6(10)11)5-7-2-3-13-5/h2-4H,1H3,(H,10,11)/b9-8+
InChIKeyJJKAKRPULSHHFM-CMDGGOBGSA-N
XLogP1.28
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.21
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-Thiazoleacetic acid
CID 21220663
Aminothiazolylacetic acid
CID 20498196
2-Thiazolyl-DL-alanine
CID 21872914
Ethyl 2-amino-2-(1,3-thiazol-2-yl)acetate
CID 53765876
2-(2-Thiazolyl)-alanine
CID 53768130
2-(1,3-Thiazol-2-yl)propanoic acid
CID 19883554
2-Methyl-2-(1,3-thiazol-2-yl)propanoic acid
CID 21099722
Methyl 2-(1,3-thiazol-2-yl)acetate
CID 23067436
2-(1,3-Thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetic acid
CID 104077423
2-Fluoro-2-(1,3-thiazol-2-yl)acetic acid
CID 165490605
2-Nitroso-2-(1,3-thiazol-2-yl)acetic acid
CID 19867519
2-Amino-2-(1,3-thiazol-2-yl)acetic acid;hydrochloride
CID 20498195

Frequently Asked Questions

What is the IUPAC name of 2-(methoxydiazenyl)-2-(1,3-thiazol-2-yl)acetic acid?
The IUPAC name of 2-(methoxydiazenyl)-2-(1,3-thiazol-2-yl)acetic acid (CID 19867523) is 2-(methoxydiazenyl)-2-(1,3-thiazol-2-yl)acetic acid.
What is the SMILES notation for 2-(methoxydiazenyl)-2-(1,3-thiazol-2-yl)acetic acid?
The canonical SMILES for 2-(methoxydiazenyl)-2-(1,3-thiazol-2-yl)acetic acid is CO/N=N/C(C(=O)O)c1nccs1.
What is the InChIKey of 2-(methoxydiazenyl)-2-(1,3-thiazol-2-yl)acetic acid?
The InChIKey is JJKAKRPULSHHFM-CMDGGOBGSA-N. The full InChI is InChI=1S/C6H7N3O3S/c1-12-9-8-4(6(10)11)5-7-2-3-13-5/h2-4H,1H3,(H,10,11)/b9-8+.
What are the key properties of 2-(methoxydiazenyl)-2-(1,3-thiazol-2-yl)acetic acid?
2-(methoxydiazenyl)-2-(1,3-thiazol-2-yl)acetic acid has a molecular weight of 201.21 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxydiazenyl)-2-(1,3-thiazol-2-yl)acetic acid is sourced from PubChem (CID 19867523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).