2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-N-[(2R,3S)-2-hydroxy-1-methyl-4-oxoazetidin-3-yl]-2-methoxyiminoacetamide

C12H14ClN5O5S — CID 173420867

IUPAC2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-N-[(2R,3S)-2-hydroxy-1-methyl-4-oxoazetidin-3-yl]-2-methoxyiminoacetamide
SMILESCON=C(C(=O)N[C@@H]1C(=O)N(C)[C@@H]1O)c1csc(NC(=O)CCl)n1
InChIInChI=1S/C12H14ClN5O5S/c1-18-10(21)8(11(18)22)16-9(20)7(17-23-2)5-4-24-12(14-5)15-6(19)3-13/h4,8,10,21H,3H2,1-2H3,(H,16,20)(H,14,15,19)/t8-,10+/m0/s1
InChIKeyVTINELOWHNTGNW-WCBMZHEXSA-N
MW375.79 g/mol
LogP-1.05
Rot. Bonds6

About 2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-N-[(2R,3S)-2-hydroxy-1-methyl-4-oxoazetidin-3-yl]-2-methoxyiminoacetamide

2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-N-[(2R,3S)-2-hydroxy-1-methyl-4-oxoazetidin-3-yl]-2-methoxyiminoacetamide (PubChem CID 173420867) has the molecular formula C12H14ClN5O5S and a molecular weight of 375.79 g/mol. Its IUPAC name is 2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-N-[(2R,3S)-2-hydroxy-1-methyl-4-oxoazetidin-3-yl]-2-methoxyiminoacetamide.

Molecular Properties

Compound Name2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-N-[(2R,3S)-2-hydroxy-1-methyl-4-oxoazetidin-3-yl]-2-methoxyiminoacetamide
PubChem CID173420867
Molecular FormulaC12H14ClN5O5S
Molecular Weight375.79 g/mol
Exact Mass375.04
IUPAC Name2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-N-[(2R,3S)-2-hydroxy-1-methyl-4-oxoazetidin-3-yl]-2-methoxyiminoacetamide
SMILESCON=C(C(=O)N[C@@H]1C(=O)N(C)[C@@H]1O)c1csc(NC(=O)CCl)n1
InChIInChI=1S/C12H14ClN5O5S/c1-18-10(21)8(11(18)22)16-9(20)7(17-23-2)5-4-24-12(14-5)15-6(19)3-13/h4,8,10,21H,3H2,1-2H3,(H,16,20)(H,14,15,19)/t8-,10+/m0/s1
InChIKeyVTINELOWHNTGNW-WCBMZHEXSA-N
XLogP-1.05
TPSA133.22 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.79
LogP ≤ 5-1.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-N-[(2R,3S)-2-hydroxy-1-methyl-4-oxoazetidin-3-yl]-2-methoxyiminoacetamide 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-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-N-(2-fluoro-4-oxoazetidin-3-yl)-2-methoxyiminoacetamide
CID 54441655
sodium (2S,3S)-3-[[2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-methoxyiminoacetyl]amino]-2-(chloromethyl)-4-oxoazetidine-1-sulfonate
CID 173396583
(2R,3R)-2-carbamoyl-3-[[2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-methoxyiminoacetyl]amino]-4-oxoazetidine-1-sulfonic acid
CID 56991863
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-(carbamoyloxymethyl)-3-[[(2Z)-2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-methoxyiminoacetyl]amino]-4-oxoazetidine-1-sulfonic acid
CID 21244766
(2S,3R)-2-(acetyloxymethyl)-3-[[(2Z)-2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-methoxyiminoacetyl]amino]-4-oxoazetidine-1-sulfonic acid
CID 88628519
2-(acetyloxymethyl)-3-[[(2Z)-2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-methoxyiminoacetyl]amino]-4-oxoazetidine-1-sulfonic acid
CID 88629176
(2S,3R)-3-[[2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-methoxyiminoacetyl]amino]-2-(2-methoxy-2-oxoethyl)sulfanyl-4-oxoazetidine-1-sulfonic acid
CID 86740424
(2S,3S)-2-acetyloxy-3-[[(2Z)-2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-methoxyiminoacetyl]amino]-4-oxoazetidine-1-sulfonic acid
CID 88629207
sodium;3-[[(2Z)-2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-methoxyiminoacetyl]amino]-2-(fluoromethyl)-4-oxoazetidine-1-sulfonic acid;hydride
CID 173430682
(3S)-2-azido-3-[[2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-methoxyiminoacetyl]amino]-4-oxoazetidine-1-sulfonic acid
CID 57207217
sodium (2R,3R)-2-(acetyloxymethyl)-3-[[(2Z)-2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-methoxyiminoacetyl]amino]-4-oxoazetidine-1-sulfonate
CID 88629171

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-N-[(2R,3S)-2-hydroxy-1-methyl-4-oxoazetidin-3-yl]-2-methoxyiminoacetamide?
The IUPAC name of 2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-N-[(2R,3S)-2-hydroxy-1-methyl-4-oxoazetidin-3-yl]-2-methoxyiminoacetamide (CID 173420867) is 2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-N-[(2R,3S)-2-hydroxy-1-methyl-4-oxoazetidin-3-yl]-2-methoxyiminoacetamide.
What is the SMILES notation for 2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-N-[(2R,3S)-2-hydroxy-1-methyl-4-oxoazetidin-3-yl]-2-methoxyiminoacetamide?
The canonical SMILES for 2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-N-[(2R,3S)-2-hydroxy-1-methyl-4-oxoazetidin-3-yl]-2-methoxyiminoacetamide is CON=C(C(=O)N[C@@H]1C(=O)N(C)[C@@H]1O)c1csc(NC(=O)CCl)n1.
What is the InChIKey of 2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-N-[(2R,3S)-2-hydroxy-1-methyl-4-oxoazetidin-3-yl]-2-methoxyiminoacetamide?
The InChIKey is VTINELOWHNTGNW-WCBMZHEXSA-N. The full InChI is InChI=1S/C12H14ClN5O5S/c1-18-10(21)8(11(18)22)16-9(20)7(17-23-2)5-4-24-12(14-5)15-6(19)3-13/h4,8,10,21H,3H2,1-2H3,(H,16,20)(H,14,15,19)/t8-,10+/m0/s1.
What are the key properties of 2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-N-[(2R,3S)-2-hydroxy-1-methyl-4-oxoazetidin-3-yl]-2-methoxyiminoacetamide?
2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-N-[(2R,3S)-2-hydroxy-1-methyl-4-oxoazetidin-3-yl]-2-methoxyiminoacetamide has a molecular weight of 375.79 g/mol, XLogP of -1.05, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-N-[(2R,3S)-2-hydroxy-1-methyl-4-oxoazetidin-3-yl]-2-methoxyiminoacetamide is sourced from PubChem (CID 173420867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).