N-[(2R,3S)-2-azido-4-oxoazetidin-3-yl]-2-(2-formamido-1,3-thiazol-4-yl)-2-methoxyiminoacetamide

C10H10N8O4S — CID 54438705

IUPACN-[(2R,3S)-2-azido-4-oxoazetidin-3-yl]-2-(2-formamido-1,3-thiazol-4-yl)-2-methoxyiminoacetamide
SMILESCON=C(C(=O)N[C@@H]1C(=O)N[C@@H]1N=[N+]=[N-])c1csc(NC=O)n1
InChIInChI=1S/C10H10N8O4S/c1-22-17-5(4-2-23-10(13-4)12-3-19)8(20)14-6-7(16-18-11)15-9(6)21/h2-3,6-7H,1H3,(H,14,20)(H,15,21)(H,12,13,19)/t6-,7+/m0/s1
InChIKeyWMOFSBKLSPNWET-NKWVEPMBSA-N
MW338.31 g/mol
LogP-0.69
Rot. Bonds7

About N-[(2R,3S)-2-azido-4-oxoazetidin-3-yl]-2-(2-formamido-1,3-thiazol-4-yl)-2-methoxyiminoacetamide

N-[(2R,3S)-2-azido-4-oxoazetidin-3-yl]-2-(2-formamido-1,3-thiazol-4-yl)-2-methoxyiminoacetamide (PubChem CID 54438705) has the molecular formula C10H10N8O4S and a molecular weight of 338.31 g/mol. Its IUPAC name is N-[(2R,3S)-2-azido-4-oxoazetidin-3-yl]-2-(2-formamido-1,3-thiazol-4-yl)-2-methoxyiminoacetamide.

Molecular Properties

Compound NameN-[(2R,3S)-2-azido-4-oxoazetidin-3-yl]-2-(2-formamido-1,3-thiazol-4-yl)-2-methoxyiminoacetamide
PubChem CID54438705
Molecular FormulaC10H10N8O4S
Molecular Weight338.31 g/mol
Exact Mass338.05
IUPAC NameN-[(2R,3S)-2-azido-4-oxoazetidin-3-yl]-2-(2-formamido-1,3-thiazol-4-yl)-2-methoxyiminoacetamide
SMILESCON=C(C(=O)N[C@@H]1C(=O)N[C@@H]1N=[N+]=[N-])c1csc(NC=O)n1
InChIInChI=1S/C10H10N8O4S/c1-22-17-5(4-2-23-10(13-4)12-3-19)8(20)14-6-7(16-18-11)15-9(6)21/h2-3,6-7H,1H3,(H,14,20)(H,15,21)(H,12,13,19)/t6-,7+/m0/s1
InChIKeyWMOFSBKLSPNWET-NKWVEPMBSA-N
XLogP-0.69
TPSA170.54 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.31
LogP ≤ 5-0.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(2S,3S)-2-azido-3-[[2-(2-formamido-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-4-oxoazetidine-1-sulfonic acid
CID 56633955
2-(2-formamido-1,3-thiazol-4-yl)-2-methoxyiminoacetic acid;hydrochloride
CID 173181360
methyl 2-[(2S,3R)-3-[[2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-methoxyiminoacetyl]amino]-4-oxoazetidin-2-yl]acetate
CID 54348552
2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-N-(2-fluoro-4-oxoazetidin-3-yl)-2-methoxyiminoacetamide
CID 54441655
(3S)-2-azido-3-[[2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-methoxyiminoacetyl]amino]-4-oxoazetidine-1-sulfonic acid
CID 57207217
ethyl (2Z)-2-(2-formamido-1,3-thiazol-4-yl)-2-methoxyiminoacetate
CID 11118700
2-(2-formamido-1,3-thiazol-4-yl)-2-methoxyimino-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide
CID 87899918
(6S)-3-(2,2-dibromoethenyl)-7-[[2-(2-formamido-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid
CID 56613830
(2Z)-N-[2-(2-acetamidoethylsulfanyl)-4-oxoazetidin-3-yl]-2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-methoxyiminoacetamide
CID 88700803
(6S)-3-(2-chloroethenyl)-7-[[2-(2-formamido-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CID 56620023
1,3-di(propan-2-yloxy)propan-2-yl (6R)-7-[[2-(2-formamido-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-4-carboxylate
CID 173422368
[(6S)-7-[[2-(2-formamido-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl 4-methylpiperazine-1-carboxylate
CID 88729356

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3S)-2-azido-4-oxoazetidin-3-yl]-2-(2-formamido-1,3-thiazol-4-yl)-2-methoxyiminoacetamide?
The IUPAC name of N-[(2R,3S)-2-azido-4-oxoazetidin-3-yl]-2-(2-formamido-1,3-thiazol-4-yl)-2-methoxyiminoacetamide (CID 54438705) is N-[(2R,3S)-2-azido-4-oxoazetidin-3-yl]-2-(2-formamido-1,3-thiazol-4-yl)-2-methoxyiminoacetamide.
What is the SMILES notation for N-[(2R,3S)-2-azido-4-oxoazetidin-3-yl]-2-(2-formamido-1,3-thiazol-4-yl)-2-methoxyiminoacetamide?
The canonical SMILES for N-[(2R,3S)-2-azido-4-oxoazetidin-3-yl]-2-(2-formamido-1,3-thiazol-4-yl)-2-methoxyiminoacetamide is CON=C(C(=O)N[C@@H]1C(=O)N[C@@H]1N=[N+]=[N-])c1csc(NC=O)n1.
What is the InChIKey of N-[(2R,3S)-2-azido-4-oxoazetidin-3-yl]-2-(2-formamido-1,3-thiazol-4-yl)-2-methoxyiminoacetamide?
The InChIKey is WMOFSBKLSPNWET-NKWVEPMBSA-N. The full InChI is InChI=1S/C10H10N8O4S/c1-22-17-5(4-2-23-10(13-4)12-3-19)8(20)14-6-7(16-18-11)15-9(6)21/h2-3,6-7H,1H3,(H,14,20)(H,15,21)(H,12,13,19)/t6-,7+/m0/s1.
What are the key properties of N-[(2R,3S)-2-azido-4-oxoazetidin-3-yl]-2-(2-formamido-1,3-thiazol-4-yl)-2-methoxyiminoacetamide?
N-[(2R,3S)-2-azido-4-oxoazetidin-3-yl]-2-(2-formamido-1,3-thiazol-4-yl)-2-methoxyiminoacetamide has a molecular weight of 338.31 g/mol, XLogP of -0.69, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3S)-2-azido-4-oxoazetidin-3-yl]-2-(2-formamido-1,3-thiazol-4-yl)-2-methoxyiminoacetamide is sourced from PubChem (CID 54438705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).