N-(2-aminoacetyl)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-N-phenylacetamide

C14H15N5O3S — CID 54318882

IUPACN-(2-aminoacetyl)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-N-phenylacetamide
SMILESCON=C(C(=O)N(C(=O)CN)c1ccccc1)c1csc(N)n1
InChIInChI=1S/C14H15N5O3S/c1-22-18-12(10-8-23-14(16)17-10)13(21)19(11(20)7-15)9-5-3-2-4-6-9/h2-6,8H,7,15H2,1H3,(H2,16,17)
InChIKeySQEQWKGTEBZIPF-UHFFFAOYSA-N
MW333.37 g/mol
LogP0.59
Rot. Bonds5

About N-(2-aminoacetyl)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-N-phenylacetamide

N-(2-aminoacetyl)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-N-phenylacetamide (PubChem CID 54318882) has the molecular formula C14H15N5O3S and a molecular weight of 333.37 g/mol. Its IUPAC name is N-(2-aminoacetyl)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-N-phenylacetamide.

Molecular Properties

Compound NameN-(2-aminoacetyl)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-N-phenylacetamide
PubChem CID54318882
Molecular FormulaC14H15N5O3S
Molecular Weight333.37 g/mol
Exact Mass333.09
IUPAC NameN-(2-aminoacetyl)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-N-phenylacetamide
SMILESCON=C(C(=O)N(C(=O)CN)c1ccccc1)c1csc(N)n1
InChIInChI=1S/C14H15N5O3S/c1-22-18-12(10-8-23-14(16)17-10)13(21)19(11(20)7-15)9-5-3-2-4-6-9/h2-6,8H,7,15H2,1H3,(H2,16,17)
InChIKeySQEQWKGTEBZIPF-UHFFFAOYSA-N
XLogP0.59
TPSA123.90 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoethanethioic S-acid;benzene
CID 174852867
2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetamide
CID 53423102
1-(2-amino-1,3-thiazol-4-yl)-1-methoxyiminopropan-2-one
CID 74007850
2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-N-(2-phenylethyl)acetamide
CID 54309029
bromo 2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetate
CID 174309981
benzyl 2-(2-amino-1,3-thiazol-4-yl)-2-[(2-methylpropan-2-yl)oxyimino]acetate
CID 139734063
(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-trityloxyiminoacetic acid
CID 10117176
ethyl (2Z)-3-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-3-oxopropanoate
CID 11777216
methylsulfonyl (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetate
CID 90408096
benzyl 2-(2-amino-1,3-thiazol-4-yl)-2-ethoxyiminoacetate
CID 139807125
ethyl (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[(2-methylpropan-2-yl)oxyimino]acetate
CID 14865019
(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-trityloxyiminoethanethioic S-acid
CID 19043530

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoacetyl)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-N-phenylacetamide?
The IUPAC name of N-(2-aminoacetyl)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-N-phenylacetamide (CID 54318882) is N-(2-aminoacetyl)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-N-phenylacetamide.
What is the SMILES notation for N-(2-aminoacetyl)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-N-phenylacetamide?
The canonical SMILES for N-(2-aminoacetyl)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-N-phenylacetamide is CON=C(C(=O)N(C(=O)CN)c1ccccc1)c1csc(N)n1.
What is the InChIKey of N-(2-aminoacetyl)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-N-phenylacetamide?
The InChIKey is SQEQWKGTEBZIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O3S/c1-22-18-12(10-8-23-14(16)17-10)13(21)19(11(20)7-15)9-5-3-2-4-6-9/h2-6,8H,7,15H2,1H3,(H2,16,17).
What are the key properties of N-(2-aminoacetyl)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-N-phenylacetamide?
N-(2-aminoacetyl)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-N-phenylacetamide has a molecular weight of 333.37 g/mol, XLogP of 0.59, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoacetyl)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-N-phenylacetamide is sourced from PubChem (CID 54318882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).