2-(2-formamido-1,3-thiazol-4-yl)-2-methoxyiminoacetic acid;hydrochloride

C7H8ClN3O4S — CID 173181360

IUPAC2-(2-formamido-1,3-thiazol-4-yl)-2-methoxyiminoacetic acid;hydrochloride
SMILESCON=C(C(=O)O)c1csc(NC=O)n1.Cl
InChIInChI=1S/C7H7N3O4S.ClH/c1-14-10-5(6(12)13)4-2-15-7(9-4)8-3-11;/h2-3H,1H3,(H,12,13)(H,8,9,11);1H
InChIKeyRTTVRLLLGVXJAY-UHFFFAOYSA-N
MW265.68 g/mol
LogP0.57
Rot. Bonds5

About 2-(2-formamido-1,3-thiazol-4-yl)-2-methoxyiminoacetic acid;hydrochloride

2-(2-formamido-1,3-thiazol-4-yl)-2-methoxyiminoacetic acid;hydrochloride (PubChem CID 173181360) has the molecular formula C7H8ClN3O4S and a molecular weight of 265.68 g/mol. Its IUPAC name is 2-(2-formamido-1,3-thiazol-4-yl)-2-methoxyiminoacetic acid;hydrochloride.

Molecular Properties

Compound Name2-(2-formamido-1,3-thiazol-4-yl)-2-methoxyiminoacetic acid;hydrochloride
PubChem CID173181360
Molecular FormulaC7H8ClN3O4S
Molecular Weight265.68 g/mol
Exact Mass264.99
IUPAC Name2-(2-formamido-1,3-thiazol-4-yl)-2-methoxyiminoacetic acid;hydrochloride
SMILESCON=C(C(=O)O)c1csc(NC=O)n1.Cl
InChIInChI=1S/C7H7N3O4S.ClH/c1-14-10-5(6(12)13)4-2-15-7(9-4)8-3-11;/h2-3H,1H3,(H,12,13)(H,8,9,11);1H
InChIKeyRTTVRLLLGVXJAY-UHFFFAOYSA-N
XLogP0.57
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.68
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(2-formamido-1,3-thiazol-4-yl)-2-methoxyiminoacetic acid;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethoxyimino-2-(2-formamido-1,3-thiazol-4-yl)acetic acid
CID 54458077
2-butoxyimino-2-(2-formamido-1,3-thiazol-4-yl)acetic acid
CID 54132484
(2Z)-2-(2-aminoethoxyimino)-2-(2-formamido-1,3-thiazol-4-yl)acetic acid
CID 21286885
ethyl (2Z)-2-(2-formamido-1,3-thiazol-4-yl)-2-methoxyiminoacetate
CID 11118700
(2Z)-2-(2-formamido-1,3-thiazol-4-yl)-2-pentoxyiminoacetic acid
CID 12766142
(2Z)-2-(2-formamido-1,3-thiazol-4-yl)-2-(thietan-3-yloxyimino)acetic acid
CID 14326067
(2E)-2-[2-(ethoxycarbonylamino)-1,3-thiazol-4-yl]-2-methoxyiminoacetic acid
CID 22827748
2-(2-formamido-1,3-thiazol-4-yl)-2-methoxyimino-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide
CID 87899918
2-[2-(diethoxyphosphorylamino)-1,3-thiazol-4-yl]-2-methoxyiminoacetic acid
CID 54481551
2-(2-formamido-1,3-thiazol-4-yl)-2-[1-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]oxyiminoacetic acid
CID 54528151
azane;2-methoxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetic acid
CID 173355793
2-(2-formamido-1,3-thiazol-4-yl)-2-oxoacetic acid;hydrate
CID 162317113

Frequently Asked Questions

What is the IUPAC name of 2-(2-formamido-1,3-thiazol-4-yl)-2-methoxyiminoacetic acid;hydrochloride?
The IUPAC name of 2-(2-formamido-1,3-thiazol-4-yl)-2-methoxyiminoacetic acid;hydrochloride (CID 173181360) is 2-(2-formamido-1,3-thiazol-4-yl)-2-methoxyiminoacetic acid;hydrochloride.
What is the SMILES notation for 2-(2-formamido-1,3-thiazol-4-yl)-2-methoxyiminoacetic acid;hydrochloride?
The canonical SMILES for 2-(2-formamido-1,3-thiazol-4-yl)-2-methoxyiminoacetic acid;hydrochloride is CON=C(C(=O)O)c1csc(NC=O)n1.Cl.
What is the InChIKey of 2-(2-formamido-1,3-thiazol-4-yl)-2-methoxyiminoacetic acid;hydrochloride?
The InChIKey is RTTVRLLLGVXJAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O4S.ClH/c1-14-10-5(6(12)13)4-2-15-7(9-4)8-3-11;/h2-3H,1H3,(H,12,13)(H,8,9,11);1H.
What are the key properties of 2-(2-formamido-1,3-thiazol-4-yl)-2-methoxyiminoacetic acid;hydrochloride?
2-(2-formamido-1,3-thiazol-4-yl)-2-methoxyiminoacetic acid;hydrochloride has a molecular weight of 265.68 g/mol, XLogP of 0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-formamido-1,3-thiazol-4-yl)-2-methoxyiminoacetic acid;hydrochloride is sourced from PubChem (CID 173181360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).