ethyl 2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-methoxyiminoacetate

C10H12ClN3O4S — CID 3593442

IUPACethyl 2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-methoxyiminoacetate
SMILESCCOC(=O)C(=NOC)c1csc(NC(=O)CCl)n1
InChIInChI=1S/C10H12ClN3O4S/c1-3-18-9(16)8(14-17-2)6-5-19-10(12-6)13-7(15)4-11/h5H,3-4H2,1-2H3,(H,12,13,15)
InChIKeyFQFDTPSFQAZRTD-UHFFFAOYSA-N
MW305.74 g/mol
LogP1.23
Rot. Bonds6

About ethyl 2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-methoxyiminoacetate

ethyl 2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-methoxyiminoacetate (PubChem CID 3593442) has the molecular formula C10H12ClN3O4S and a molecular weight of 305.74 g/mol. Its IUPAC name is ethyl 2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-methoxyiminoacetate.

Molecular Properties

Compound Nameethyl 2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-methoxyiminoacetate
PubChem CID3593442
Molecular FormulaC10H12ClN3O4S
Molecular Weight305.74 g/mol
Exact Mass305.02
IUPAC Nameethyl 2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-methoxyiminoacetate
SMILESCCOC(=O)C(=NOC)c1csc(NC(=O)CCl)n1
InChIInChI=1S/C10H12ClN3O4S/c1-3-18-9(16)8(14-17-2)6-5-19-10(12-6)13-7(15)4-11/h5H,3-4H2,1-2H3,(H,12,13,15)
InChIKeyFQFDTPSFQAZRTD-UHFFFAOYSA-N
XLogP1.23
TPSA89.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.74
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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'}

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Related Compounds

ethyl 2-methoxyimino-2-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 142667304
ethyl 2-methoxyimino-2-[2-[(3-methoxy-2-oxopropanoyl)amino]-1,3-thiazol-4-yl]acetate
CID 139755450
ethyl (2Z)-2-(2-formamido-1,3-thiazol-4-yl)-2-methoxyiminoacetate
CID 11118700
(2Z)-2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-ethoxyiminoacetyl chloride;hydrochloride
CID 19869087
(2E)-2-[2-(ethoxycarbonylamino)-1,3-thiazol-4-yl]-2-methoxyiminoacetic acid
CID 22827748
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
methyl 2-(2-acetamido-1,3-thiazol-4-yl)-2-methoxyiminoacetate
CID 54179551
methyl 2-ethoxyimino-2-[2-(propanoylamino)-1,3-thiazol-4-yl]acetate
CID 54036724
ethyl 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methoxyiminoacetate
CID 155760128
ethyl (2Z)-2-[2-[[2-[4-(3-chlorophenyl)piperazin-1-yl]acetyl]amino]-1,3-thiazol-4-yl]-2-methoxyiminoacetate
CID 141174565
ethyl (2S,3S)-3-[[2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-methoxyiminoacetyl]amino]-1-methoxy-2-methylsulfanyl-4-oxoazetidine-2-carboxylate
CID 150140515
methyl 2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-phenylmethoxyiminoacetate
CID 173396675

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-methoxyiminoacetate?
The IUPAC name of ethyl 2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-methoxyiminoacetate (CID 3593442) is ethyl 2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-methoxyiminoacetate.
What is the SMILES notation for ethyl 2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-methoxyiminoacetate?
The canonical SMILES for ethyl 2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-methoxyiminoacetate is CCOC(=O)C(=NOC)c1csc(NC(=O)CCl)n1.
What is the InChIKey of ethyl 2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-methoxyiminoacetate?
The InChIKey is FQFDTPSFQAZRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O4S/c1-3-18-9(16)8(14-17-2)6-5-19-10(12-6)13-7(15)4-11/h5H,3-4H2,1-2H3,(H,12,13,15).
What are the key properties of ethyl 2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-methoxyiminoacetate?
ethyl 2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-methoxyiminoacetate has a molecular weight of 305.74 g/mol, XLogP of 1.23, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-methoxyiminoacetate is sourced from PubChem (CID 3593442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).