2-(2-amino-1,3-thiazol-4-yl)-N-[2-ethyl-4-oxo-1-(2H-tetrazol-5-yl)azetidin-3-yl]-2-methoxyiminoacetamide

C12H15N9O3S — CID 139641681

IUPAC2-(2-amino-1,3-thiazol-4-yl)-N-[2-ethyl-4-oxo-1-(2H-tetrazol-5-yl)azetidin-3-yl]-2-methoxyiminoacetamide
SMILESCCC1C(NC(=O)C(=NOC)c2csc(N)n2)C(=O)N1c1nn[nH]n1
InChIInChI=1S/C12H15N9O3S/c1-3-6-8(10(23)21(6)12-16-19-20-17-12)15-9(22)7(18-24-2)5-4-25-11(13)14-5/h4,6,8H,3H2,1-2H3,(H2,13,14)(H,15,22)(H,16,17,19,20)
InChIKeyGLWYELFCXMMRDX-UHFFFAOYSA-N
MW365.38 g/mol
LogP-1.10
Rot. Bonds6

About 2-(2-amino-1,3-thiazol-4-yl)-N-[2-ethyl-4-oxo-1-(2H-tetrazol-5-yl)azetidin-3-yl]-2-methoxyiminoacetamide

2-(2-amino-1,3-thiazol-4-yl)-N-[2-ethyl-4-oxo-1-(2H-tetrazol-5-yl)azetidin-3-yl]-2-methoxyiminoacetamide (PubChem CID 139641681) has the molecular formula C12H15N9O3S and a molecular weight of 365.38 g/mol. Its IUPAC name is 2-(2-amino-1,3-thiazol-4-yl)-N-[2-ethyl-4-oxo-1-(2H-tetrazol-5-yl)azetidin-3-yl]-2-methoxyiminoacetamide.

Molecular Properties

Compound Name2-(2-amino-1,3-thiazol-4-yl)-N-[2-ethyl-4-oxo-1-(2H-tetrazol-5-yl)azetidin-3-yl]-2-methoxyiminoacetamide
PubChem CID139641681
Molecular FormulaC12H15N9O3S
Molecular Weight365.38 g/mol
Exact Mass365.10
IUPAC Name2-(2-amino-1,3-thiazol-4-yl)-N-[2-ethyl-4-oxo-1-(2H-tetrazol-5-yl)azetidin-3-yl]-2-methoxyiminoacetamide
SMILESCCC1C(NC(=O)C(=NOC)c2csc(N)n2)C(=O)N1c1nn[nH]n1
InChIInChI=1S/C12H15N9O3S/c1-3-6-8(10(23)21(6)12-16-19-20-17-12)15-9(22)7(18-24-2)5-4-25-11(13)14-5/h4,6,8H,3H2,1-2H3,(H2,13,14)(H,15,22)(H,16,17,19,20)
InChIKeyGLWYELFCXMMRDX-UHFFFAOYSA-N
XLogP-1.10
TPSA164.37 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.38
LogP ≤ 5-1.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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

N-[2-ethyl-4-oxo-1-(2H-tetrazol-5-yl)azetidin-3-yl]-2-methoxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetamide
CID 139641649
3-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-2-ethyl-4-oxoazetidine-1-sulfonic acid
CID 88647240
(2R,3R)-3-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-2-(chloromethyl)-4-oxoazetidine-1-sulfonic acid
CID 88629226
(2R,3R)-3-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-2-(hydroxymethyl)-4-oxoazetidine-1-sulfonic acid
CID 88628878
(3S,4S)-3-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-2-oxo-4-[1-(2H-tetrazol-5-ylsulfanyl)ethyl]azetidine-1-sulfonic acid
CID 173396458
3-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-2-(fluoromethyl)-4-oxoazetidine-1-sulfonic acid
CID 19992087
(2R,3S)-3-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-2-(nitrosomethyl)-4-oxoazetidine-1-sulfonic acid
CID 57194232
(3S,4S)-3-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-2-oxo-4-propylazetidine-1-sulfonic acid;N,N-diethylethanamine
CID 88615593
tert-butyl 1-[(Z)-[1-(2-amino-1,3-thiazol-4-yl)-2-[[(2R,3S)-2-methyl-4-oxo-1-(2H-tetrazol-5-yl)azetidin-3-yl]amino]-2-oxoethylidene]amino]oxycyclobutane-1-carboxylate
CID 139643280
3-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-2-(methylsulfanylmethyl)-4-oxoazetidine-1-sulfonic acid
CID 21244945
sodium;2-(acetyloxymethyl)-3-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-4-oxoazetidine-1-sulfonic acid;hydride
CID 173396556
2-[3-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-2-methyl-4-oxoazetidin-1-yl]oxyacetic acid
CID 3047808

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-N-[2-ethyl-4-oxo-1-(2H-tetrazol-5-yl)azetidin-3-yl]-2-methoxyiminoacetamide?
The IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-N-[2-ethyl-4-oxo-1-(2H-tetrazol-5-yl)azetidin-3-yl]-2-methoxyiminoacetamide (CID 139641681) is 2-(2-amino-1,3-thiazol-4-yl)-N-[2-ethyl-4-oxo-1-(2H-tetrazol-5-yl)azetidin-3-yl]-2-methoxyiminoacetamide.
What is the SMILES notation for 2-(2-amino-1,3-thiazol-4-yl)-N-[2-ethyl-4-oxo-1-(2H-tetrazol-5-yl)azetidin-3-yl]-2-methoxyiminoacetamide?
The canonical SMILES for 2-(2-amino-1,3-thiazol-4-yl)-N-[2-ethyl-4-oxo-1-(2H-tetrazol-5-yl)azetidin-3-yl]-2-methoxyiminoacetamide is CCC1C(NC(=O)C(=NOC)c2csc(N)n2)C(=O)N1c1nn[nH]n1.
What is the InChIKey of 2-(2-amino-1,3-thiazol-4-yl)-N-[2-ethyl-4-oxo-1-(2H-tetrazol-5-yl)azetidin-3-yl]-2-methoxyiminoacetamide?
The InChIKey is GLWYELFCXMMRDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N9O3S/c1-3-6-8(10(23)21(6)12-16-19-20-17-12)15-9(22)7(18-24-2)5-4-25-11(13)14-5/h4,6,8H,3H2,1-2H3,(H2,13,14)(H,15,22)(H,16,17,19,20).
What are the key properties of 2-(2-amino-1,3-thiazol-4-yl)-N-[2-ethyl-4-oxo-1-(2H-tetrazol-5-yl)azetidin-3-yl]-2-methoxyiminoacetamide?
2-(2-amino-1,3-thiazol-4-yl)-N-[2-ethyl-4-oxo-1-(2H-tetrazol-5-yl)azetidin-3-yl]-2-methoxyiminoacetamide has a molecular weight of 365.38 g/mol, XLogP of -1.10, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-1,3-thiazol-4-yl)-N-[2-ethyl-4-oxo-1-(2H-tetrazol-5-yl)azetidin-3-yl]-2-methoxyiminoacetamide is sourced from PubChem (CID 139641681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).