2-(1-methylpyrrol-2-yl)-N-[(E)-(5-methylthiophen-2-yl)methylideneamino]acetamide

C13H15N3OS — CID 6865177

IUPAC2-(1-methylpyrrol-2-yl)-N-[(E)-(5-methylthiophen-2-yl)methylideneamino]acetamide
SMILESCc1ccc(/C=N/NC(=O)Cc2cccn2C)s1
InChIInChI=1S/C13H15N3OS/c1-10-5-6-12(18-10)9-14-15-13(17)8-11-4-3-7-16(11)2/h3-7,9H,8H2,1-2H3,(H,15,17)/b14-9+
InChIKeyQRKXAWCVAJDJTP-NTEUORMPSA-N
MW261.35 g/mol
LogP2.09
Rot. Bonds4

About 2-(1-methylpyrrol-2-yl)-N-[(E)-(5-methylthiophen-2-yl)methylideneamino]acetamide

2-(1-methylpyrrol-2-yl)-N-[(E)-(5-methylthiophen-2-yl)methylideneamino]acetamide (PubChem CID 6865177) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is 2-(1-methylpyrrol-2-yl)-N-[(E)-(5-methylthiophen-2-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(1-methylpyrrol-2-yl)-N-[(E)-(5-methylthiophen-2-yl)methylideneamino]acetamide
PubChem CID6865177
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name2-(1-methylpyrrol-2-yl)-N-[(E)-(5-methylthiophen-2-yl)methylideneamino]acetamide
SMILESCc1ccc(/C=N/NC(=O)Cc2cccn2C)s1
InChIInChI=1S/C13H15N3OS/c1-10-5-6-12(18-10)9-14-15-13(17)8-11-4-3-7-16(11)2/h3-7,9H,8H2,1-2H3,(H,15,17)/b14-9+
InChIKeyQRKXAWCVAJDJTP-NTEUORMPSA-N
XLogP2.09
TPSA46.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrrol-2-yl)-N-[(E)-(5-methylthiophen-2-yl)methylideneamino]acetamide?
The IUPAC name of 2-(1-methylpyrrol-2-yl)-N-[(E)-(5-methylthiophen-2-yl)methylideneamino]acetamide (CID 6865177) is 2-(1-methylpyrrol-2-yl)-N-[(E)-(5-methylthiophen-2-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-(1-methylpyrrol-2-yl)-N-[(E)-(5-methylthiophen-2-yl)methylideneamino]acetamide?
The canonical SMILES for 2-(1-methylpyrrol-2-yl)-N-[(E)-(5-methylthiophen-2-yl)methylideneamino]acetamide is Cc1ccc(/C=N/NC(=O)Cc2cccn2C)s1.
What is the InChIKey of 2-(1-methylpyrrol-2-yl)-N-[(E)-(5-methylthiophen-2-yl)methylideneamino]acetamide?
The InChIKey is QRKXAWCVAJDJTP-NTEUORMPSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-10-5-6-12(18-10)9-14-15-13(17)8-11-4-3-7-16(11)2/h3-7,9H,8H2,1-2H3,(H,15,17)/b14-9+.
What are the key properties of 2-(1-methylpyrrol-2-yl)-N-[(E)-(5-methylthiophen-2-yl)methylideneamino]acetamide?
2-(1-methylpyrrol-2-yl)-N-[(E)-(5-methylthiophen-2-yl)methylideneamino]acetamide has a molecular weight of 261.35 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrrol-2-yl)-N-[(E)-(5-methylthiophen-2-yl)methylideneamino]acetamide is sourced from PubChem (CID 6865177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).