(3S)-1-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-2-oxo-N-sulfamoylazetidine-3-carboxamide

C10H13N7O6S2 — CID 88780329

About (3S)-1-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-2-oxo-N-sulfamoylazetidine-3-carboxamide

(3S)-1-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-2-oxo-N-sulfamoylazetidine-3-carboxamide (PubChem CID 88780329) has the molecular formula C10H13N7O6S2 and a molecular weight of 391.39 g/mol. Its IUPAC name is (3S)-1-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-2-oxo-N-sulfamoylazetidine-3-carboxamide.

Molecular Properties

• Compound Name: (3S)-1-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-2-oxo-N-sulfamoylazetidine-3-carboxamide
• PubChem CID: 88780329
• Molecular Formula: C10H13N7O6S2
• Molecular Weight: 391.39 g/mol
• Exact Mass: 391.04
• IUPAC Name: (3S)-1-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-2-oxo-N-sulfamoylazetidine-3-carboxamide
• SMILES: CO/N=C(\C(=O)NN1C[C@H](C(=O)NS(N)(=O)=O)C1=O)c1csc(N)n1
• InChI: InChI=1S/C10H13N7O6S2/c1-23-15-6(5-3-24-10(11)13-5)8(19)14-17-2-4(9(17)20)7(18)16-25(12,21)22/h3-4H,2H2,1H3,(H2,11,13)(H,14,19)(H,16,18)(H2,12,21,22)/b15-6-/t4-/m1/s1
• InChIKey: FVEXDEDATDORGH-HLNIPZQDSA-N
• XLogP: -3.11
• TPSA: 199.17 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	391.39
LogP ≤ 5	-3.11
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-2-oxo-N-sulfamoylazetidine-3-carboxamide?

The IUPAC name of (3S)-1-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-2-oxo-N-sulfamoylazetidine-3-carboxamide (CID 88780329) is (3S)-1-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-2-oxo-N-sulfamoylazetidine-3-carboxamide.

What is the SMILES notation for (3S)-1-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-2-oxo-N-sulfamoylazetidine-3-carboxamide?

The canonical SMILES for (3S)-1-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-2-oxo-N-sulfamoylazetidine-3-carboxamide is CO/N=C(\C(=O)NN1C[C@H](C(=O)NS(N)(=O)=O)C1=O)c1csc(N)n1.

What is the InChIKey of (3S)-1-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-2-oxo-N-sulfamoylazetidine-3-carboxamide?

The InChIKey is FVEXDEDATDORGH-HLNIPZQDSA-N. The full InChI is InChI=1S/C10H13N7O6S2/c1-23-15-6(5-3-24-10(11)13-5)8(19)14-17-2-4(9(17)20)7(18)16-25(12,21)22/h3-4H,2H2,1H3,(H2,11,13)(H,14,19)(H,16,18)(H2,12,21,22)/b15-6-/t4-/m1/s1.

What are the key properties of (3S)-1-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-2-oxo-N-sulfamoylazetidine-3-carboxamide?

(3S)-1-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-2-oxo-N-sulfamoylazetidine-3-carboxamide has a molecular weight of 391.39 g/mol, XLogP of -3.11, 6 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-1-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-2-oxo-N-sulfamoylazetidine-3-carboxamide is sourced from PubChem (CID 88780329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).