(2E)-2-[(2-amino-5-chloro-1,3-thiazol-4-yl)methoxyimino]acetamide

C6H7ClN4O2S — CID 142784741

IUPAC(2E)-2-[(2-amino-5-chloro-1,3-thiazol-4-yl)methoxyimino]acetamide
SMILESNC(=O)/C=N/OCc1nc(N)sc1Cl
InChIInChI=1S/C6H7ClN4O2S/c7-5-3(11-6(9)14-5)2-13-10-1-4(8)12/h1H,2H2,(H2,8,12)(H2,9,11)/b10-1+
InChIKeyDENDEWSCRJWCDT-BCTAIJSYSA-N
MW234.67 g/mol
LogP0.37
Rot. Bonds4

About (2E)-2-[(2-amino-5-chloro-1,3-thiazol-4-yl)methoxyimino]acetamide

(2E)-2-[(2-amino-5-chloro-1,3-thiazol-4-yl)methoxyimino]acetamide (PubChem CID 142784741) has the molecular formula C6H7ClN4O2S and a molecular weight of 234.67 g/mol. Its IUPAC name is (2E)-2-[(2-amino-5-chloro-1,3-thiazol-4-yl)methoxyimino]acetamide.

Molecular Properties

Compound Name(2E)-2-[(2-amino-5-chloro-1,3-thiazol-4-yl)methoxyimino]acetamide
PubChem CID142784741
Molecular FormulaC6H7ClN4O2S
Molecular Weight234.67 g/mol
Exact Mass234.00
IUPAC Name(2E)-2-[(2-amino-5-chloro-1,3-thiazol-4-yl)methoxyimino]acetamide
SMILESNC(=O)/C=N/OCc1nc(N)sc1Cl
InChIInChI=1S/C6H7ClN4O2S/c7-5-3(11-6(9)14-5)2-13-10-1-4(8)12/h1H,2H2,(H2,8,12)(H2,9,11)/b10-1+
InChIKeyDENDEWSCRJWCDT-BCTAIJSYSA-N
XLogP0.37
TPSA103.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.67
LogP ≤ 50.37
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

2-[[5-chloro-2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]methoxyimino]acetyl chloride
CID 54260035
2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-ethoxyiminoacetic acid
CID 54314875
2-[(2-amino-1,3-thiazol-4-yl)methoxyimino]ethanethioic S-acid
CID 154451443
(2Z)-2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-propoxyiminoacetaldehyde
CID 173351801
2-amino-5-chloro-1,3-thiazole-4-carbaldehyde
CID 2763228
2-hydroperoxyiminoacetamide
CID 141143472
2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-propoxyiminoacetic acid
CID 173070149
1-(2-amino-4-ethyl-1,3-thiazol-5-yl)ethanone
CID 13485346
ethyl 2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-methylpropanoate
CID 86669542
potassium;(2Z)-2-[2-(5-chloro-2-formamido-1,3-thiazol-4-yl)acetyl]oxyiminoacetic acid;hydride
CID 173279287
2-[(2-amino-1,3-thiazol-4-yl)-(1H-imidazol-5-yl)methoxy]iminoacetamide
CID 173292242
[(2-amino-1,3-thiazol-4-yl)methylideneamino] 2-chloroacetate
CID 74054264

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(2-amino-5-chloro-1,3-thiazol-4-yl)methoxyimino]acetamide?
The IUPAC name of (2E)-2-[(2-amino-5-chloro-1,3-thiazol-4-yl)methoxyimino]acetamide (CID 142784741) is (2E)-2-[(2-amino-5-chloro-1,3-thiazol-4-yl)methoxyimino]acetamide.
What is the SMILES notation for (2E)-2-[(2-amino-5-chloro-1,3-thiazol-4-yl)methoxyimino]acetamide?
The canonical SMILES for (2E)-2-[(2-amino-5-chloro-1,3-thiazol-4-yl)methoxyimino]acetamide is NC(=O)/C=N/OCc1nc(N)sc1Cl.
What is the InChIKey of (2E)-2-[(2-amino-5-chloro-1,3-thiazol-4-yl)methoxyimino]acetamide?
The InChIKey is DENDEWSCRJWCDT-BCTAIJSYSA-N. The full InChI is InChI=1S/C6H7ClN4O2S/c7-5-3(11-6(9)14-5)2-13-10-1-4(8)12/h1H,2H2,(H2,8,12)(H2,9,11)/b10-1+.
What are the key properties of (2E)-2-[(2-amino-5-chloro-1,3-thiazol-4-yl)methoxyimino]acetamide?
(2E)-2-[(2-amino-5-chloro-1,3-thiazol-4-yl)methoxyimino]acetamide has a molecular weight of 234.67 g/mol, XLogP of 0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(2-amino-5-chloro-1,3-thiazol-4-yl)methoxyimino]acetamide is sourced from PubChem (CID 142784741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).