(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-ethoxyimino-N-(1-methyl-2-oxo-4-sulfanylazetidin-3-yl)acetamide

C11H15N5O3S2 — CID 143301449

IUPAC(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-ethoxyimino-N-(1-methyl-2-oxo-4-sulfanylazetidin-3-yl)acetamide
SMILESCCO/N=C(\C(=O)NC1C(=O)N(C)C1S)c1csc(N)n1
InChIInChI=1S/C11H15N5O3S2/c1-3-19-15-6(5-4-21-11(12)13-5)8(17)14-7-9(18)16(2)10(7)20/h4,7,10,20H,3H2,1-2H3,(H2,12,13)(H,14,17)/b15-6-
InChIKeyCGMRKUQXSQPATL-UUASQNMZSA-N
MW329.41 g/mol
LogP-0.32
Rot. Bonds5

About (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-ethoxyimino-N-(1-methyl-2-oxo-4-sulfanylazetidin-3-yl)acetamide

(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-ethoxyimino-N-(1-methyl-2-oxo-4-sulfanylazetidin-3-yl)acetamide (PubChem CID 143301449) has the molecular formula C11H15N5O3S2 and a molecular weight of 329.41 g/mol. Its IUPAC name is (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-ethoxyimino-N-(1-methyl-2-oxo-4-sulfanylazetidin-3-yl)acetamide.

Molecular Properties

Compound Name(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-ethoxyimino-N-(1-methyl-2-oxo-4-sulfanylazetidin-3-yl)acetamide
PubChem CID143301449
Molecular FormulaC11H15N5O3S2
Molecular Weight329.41 g/mol
Exact Mass329.06
IUPAC Name(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-ethoxyimino-N-(1-methyl-2-oxo-4-sulfanylazetidin-3-yl)acetamide
SMILESCCO/N=C(\C(=O)NC1C(=O)N(C)C1S)c1csc(N)n1
InChIInChI=1S/C11H15N5O3S2/c1-3-19-15-6(5-4-21-11(12)13-5)8(17)14-7-9(18)16(2)10(7)20/h4,7,10,20H,3H2,1-2H3,(H2,12,13)(H,14,17)/b15-6-
InChIKeyCGMRKUQXSQPATL-UUASQNMZSA-N
XLogP-0.32
TPSA109.91 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
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'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-ethoxyimino-N-methylacetamide
CID 59874410
(6R)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-ethoxyiminoacetyl]amino]-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CID 88659335
(6R)-7-[[2-(2-amino-1,3-thiazol-4-yl)-2-ethoxyiminoacetyl]amino]-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CID 131713985
(6R,7R)-3-(acetyloxymethyl)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-ethoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CID 12784189
sodium (6S)-7-[[2-(2-amino-1,3-thiazol-4-yl)-2-ethoxyiminoacetyl]amino]-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CID 88659431
sodium (6R)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-ethoxyiminoacetyl]amino]-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CID 88659428
sodium (6R)-7-[[2-(2-amino-1,3-thiazol-4-yl)-2-ethoxyiminoacetyl]amino]-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-3-carboxylate
CID 173389606
disodium;2-[(Z)-[1-(2-amino-1,3-thiazol-4-yl)-2-[[(2S,3S)-1-(carboxylatomethoxy)-2-methyl-4-oxoazetidin-3-yl]amino]-2-oxoethylidene]amino]oxyacetate
CID 88649775
(6S,7R)-7-[[2-(2-amino-1,3-thiazol-4-yl)-2-ethoxyiminoacetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CID 54188979
(6S)-3-(aminomethyl)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(carboxymethoxyimino)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CID 88629275
(6R,7R)-7-[[2-(2-amino-1,3-thiazol-4-yl)-2-(carboxymethoxyimino)acetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CID 171148477
3-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-prop-2-enoxyiminoacetyl]amino]-2-methoxycarbonyl-4-oxoazetidine-1-sulfonic acid
CID 88628836

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-ethoxyimino-N-(1-methyl-2-oxo-4-sulfanylazetidin-3-yl)acetamide?
The IUPAC name of (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-ethoxyimino-N-(1-methyl-2-oxo-4-sulfanylazetidin-3-yl)acetamide (CID 143301449) is (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-ethoxyimino-N-(1-methyl-2-oxo-4-sulfanylazetidin-3-yl)acetamide.
What is the SMILES notation for (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-ethoxyimino-N-(1-methyl-2-oxo-4-sulfanylazetidin-3-yl)acetamide?
The canonical SMILES for (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-ethoxyimino-N-(1-methyl-2-oxo-4-sulfanylazetidin-3-yl)acetamide is CCO/N=C(\C(=O)NC1C(=O)N(C)C1S)c1csc(N)n1.
What is the InChIKey of (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-ethoxyimino-N-(1-methyl-2-oxo-4-sulfanylazetidin-3-yl)acetamide?
The InChIKey is CGMRKUQXSQPATL-UUASQNMZSA-N. The full InChI is InChI=1S/C11H15N5O3S2/c1-3-19-15-6(5-4-21-11(12)13-5)8(17)14-7-9(18)16(2)10(7)20/h4,7,10,20H,3H2,1-2H3,(H2,12,13)(H,14,17)/b15-6-.
What are the key properties of (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-ethoxyimino-N-(1-methyl-2-oxo-4-sulfanylazetidin-3-yl)acetamide?
(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-ethoxyimino-N-(1-methyl-2-oxo-4-sulfanylazetidin-3-yl)acetamide has a molecular weight of 329.41 g/mol, XLogP of -0.32, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-ethoxyimino-N-(1-methyl-2-oxo-4-sulfanylazetidin-3-yl)acetamide is sourced from PubChem (CID 143301449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).