(Z)-2-azido-N-methoxy-N-methyl-3-thiophen-2-ylprop-2-enamide

C9H10N4O2S — CID 138963230

IUPAC(Z)-2-azido-N-methoxy-N-methyl-3-thiophen-2-ylprop-2-enamide
SMILESCON(C)C(=O)/C(=C/c1cccs1)N=[N+]=[N-]
InChIInChI=1S/C9H10N4O2S/c1-13(15-2)9(14)8(11-12-10)6-7-4-3-5-16-7/h3-6H,1-2H3/b8-6-
InChIKeyGKZRIZSOWNTMDT-VURMDHGXSA-N
MW238.27 g/mol
LogP2.42
Rot. Bonds4

About (Z)-2-azido-N-methoxy-N-methyl-3-thiophen-2-ylprop-2-enamide

(Z)-2-azido-N-methoxy-N-methyl-3-thiophen-2-ylprop-2-enamide (PubChem CID 138963230) has the molecular formula C9H10N4O2S and a molecular weight of 238.27 g/mol. Its IUPAC name is (Z)-2-azido-N-methoxy-N-methyl-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(Z)-2-azido-N-methoxy-N-methyl-3-thiophen-2-ylprop-2-enamide
PubChem CID138963230
Molecular FormulaC9H10N4O2S
Molecular Weight238.27 g/mol
Exact Mass238.05
IUPAC Name(Z)-2-azido-N-methoxy-N-methyl-3-thiophen-2-ylprop-2-enamide
SMILESCON(C)C(=O)/C(=C/c1cccs1)N=[N+]=[N-]
InChIInChI=1S/C9H10N4O2S/c1-13(15-2)9(14)8(11-12-10)6-7-4-3-5-16-7/h3-6H,1-2H3/b8-6-
InChIKeyGKZRIZSOWNTMDT-VURMDHGXSA-N
XLogP2.42
TPSA78.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-methoxy-N-methyl-3-(thiophen-2-yl)acrylamide
CID 15141046
(2Z,4E)-2-fluoro-N-methoxy-N-methyl-5-thiophen-2-ylpenta-2,4-dienamide
CID 102358338
(E)-2-fluoro-N-methoxy-N-methyl-3-thiophen-2-ylprop-2-enamide
CID 42646126
(Z)-2-fluoro-N-methoxy-N-methyl-3-thiophen-2-ylprop-2-enamide
CID 42646127
N-methoxy-N-methyl-3-(5-methylthiophen-2-yl)prop-2-enamide
CID 76872999

Frequently Asked Questions

What is the IUPAC name of (Z)-2-azido-N-methoxy-N-methyl-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (Z)-2-azido-N-methoxy-N-methyl-3-thiophen-2-ylprop-2-enamide (CID 138963230) is (Z)-2-azido-N-methoxy-N-methyl-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (Z)-2-azido-N-methoxy-N-methyl-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (Z)-2-azido-N-methoxy-N-methyl-3-thiophen-2-ylprop-2-enamide is CON(C)C(=O)/C(=C/c1cccs1)N=[N+]=[N-].
What is the InChIKey of (Z)-2-azido-N-methoxy-N-methyl-3-thiophen-2-ylprop-2-enamide?
The InChIKey is GKZRIZSOWNTMDT-VURMDHGXSA-N. The full InChI is InChI=1S/C9H10N4O2S/c1-13(15-2)9(14)8(11-12-10)6-7-4-3-5-16-7/h3-6H,1-2H3/b8-6-.
What are the key properties of (Z)-2-azido-N-methoxy-N-methyl-3-thiophen-2-ylprop-2-enamide?
(Z)-2-azido-N-methoxy-N-methyl-3-thiophen-2-ylprop-2-enamide has a molecular weight of 238.27 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-azido-N-methoxy-N-methyl-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 138963230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).