(2Z)-2-(2-acetamido-1,3-thiazol-4-yl)-2-methoxyiminoacetamide

C8H10N4O3S — CID 141367897

IUPAC(2Z)-2-(2-acetamido-1,3-thiazol-4-yl)-2-methoxyiminoacetamide
SMILESCO/N=C(\C(N)=O)c1csc(NC(C)=O)n1
InChIInChI=1S/C8H10N4O3S/c1-4(13)10-8-11-5(3-16-8)6(7(9)14)12-15-2/h3H,1-2H3,(H2,9,14)(H,10,11,13)/b12-6-
InChIKeySOJWEFARTSXLJE-SDQBBNPISA-N
MW242.26 g/mol
LogP-0.06
Rot. Bonds4

About (2Z)-2-(2-acetamido-1,3-thiazol-4-yl)-2-methoxyiminoacetamide

(2Z)-2-(2-acetamido-1,3-thiazol-4-yl)-2-methoxyiminoacetamide (PubChem CID 141367897) has the molecular formula C8H10N4O3S and a molecular weight of 242.26 g/mol. Its IUPAC name is (2Z)-2-(2-acetamido-1,3-thiazol-4-yl)-2-methoxyiminoacetamide.

Molecular Properties

Compound Name(2Z)-2-(2-acetamido-1,3-thiazol-4-yl)-2-methoxyiminoacetamide
PubChem CID141367897
Molecular FormulaC8H10N4O3S
Molecular Weight242.26 g/mol
Exact Mass242.05
IUPAC Name(2Z)-2-(2-acetamido-1,3-thiazol-4-yl)-2-methoxyiminoacetamide
SMILESCO/N=C(\C(N)=O)c1csc(NC(C)=O)n1
InChIInChI=1S/C8H10N4O3S/c1-4(13)10-8-11-5(3-16-8)6(7(9)14)12-15-2/h3H,1-2H3,(H2,9,14)(H,10,11,13)/b12-6-
InChIKeySOJWEFARTSXLJE-SDQBBNPISA-N
XLogP-0.06
TPSA106.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.26
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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Related Compounds

methyl 2-(2-acetamido-1,3-thiazol-4-yl)-2-methoxyiminoacetate
CID 54179551
2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetamide
CID 53423102
tert-butyl 2-(2-acetamido-1,3-thiazol-4-yl)-2-methoxyiminoacetate
CID 142637269
tert-butyl 2-[[2-(2-acetamido-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]propanoate
CID 142637276
(2E)-2-[2-(ethoxycarbonylamino)-1,3-thiazol-4-yl]-2-methoxyiminoacetic acid
CID 22827748
1-(2-amino-1,3-thiazol-4-yl)-1-methoxyiminopropan-2-one
CID 74007850
(2E)-2-methoxyimino-2-[2-(2-methylpropoxycarbonylamino)-1,3-thiazol-4-yl]acetic acid
CID 22827749
ethyl 2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-methoxyiminoacetate
CID 3593442
[[2-amino-1-(2-amino-1,3-thiazol-4-yl)-2-oxoethylidene]amino] acetate
CID 56631169
(2Z)-2-methoxyimino-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]acetate
CID 19067212
ethyl 2-methoxyimino-2-[2-[(3-methoxy-2-oxopropanoyl)amino]-1,3-thiazol-4-yl]acetate
CID 139755450
2-(2-formamido-1,3-thiazol-4-yl)-2-methoxyiminoacetic acid;hydrochloride
CID 173181360

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(2-acetamido-1,3-thiazol-4-yl)-2-methoxyiminoacetamide?
The IUPAC name of (2Z)-2-(2-acetamido-1,3-thiazol-4-yl)-2-methoxyiminoacetamide (CID 141367897) is (2Z)-2-(2-acetamido-1,3-thiazol-4-yl)-2-methoxyiminoacetamide.
What is the SMILES notation for (2Z)-2-(2-acetamido-1,3-thiazol-4-yl)-2-methoxyiminoacetamide?
The canonical SMILES for (2Z)-2-(2-acetamido-1,3-thiazol-4-yl)-2-methoxyiminoacetamide is CO/N=C(\C(N)=O)c1csc(NC(C)=O)n1.
What is the InChIKey of (2Z)-2-(2-acetamido-1,3-thiazol-4-yl)-2-methoxyiminoacetamide?
The InChIKey is SOJWEFARTSXLJE-SDQBBNPISA-N. The full InChI is InChI=1S/C8H10N4O3S/c1-4(13)10-8-11-5(3-16-8)6(7(9)14)12-15-2/h3H,1-2H3,(H2,9,14)(H,10,11,13)/b12-6-.
What are the key properties of (2Z)-2-(2-acetamido-1,3-thiazol-4-yl)-2-methoxyiminoacetamide?
(2Z)-2-(2-acetamido-1,3-thiazol-4-yl)-2-methoxyiminoacetamide has a molecular weight of 242.26 g/mol, XLogP of -0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(2-acetamido-1,3-thiazol-4-yl)-2-methoxyiminoacetamide is sourced from PubChem (CID 141367897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).