N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]thiophene-2-carboxamide

C11H11N3OS — CID 6880392

IUPACN-[(E)-(1-methylpyrrol-2-yl)methylideneamino]thiophene-2-carboxamide
SMILESCn1cccc1/C=N/NC(=O)c1cccs1
InChIInChI=1S/C11H11N3OS/c1-14-6-2-4-9(14)8-12-13-11(15)10-5-3-7-16-10/h2-8H,1H3,(H,13,15)/b12-8+
InChIKeyZBARXLYVCNLMDC-XYOKQWHBSA-N
MW233.30 g/mol
LogP1.85
Rot. Bonds3

About N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]thiophene-2-carboxamide

N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]thiophene-2-carboxamide (PubChem CID 6880392) has the molecular formula C11H11N3OS and a molecular weight of 233.30 g/mol. Its IUPAC name is N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-(1-methylpyrrol-2-yl)methylideneamino]thiophene-2-carboxamide
PubChem CID6880392
Molecular FormulaC11H11N3OS
Molecular Weight233.30 g/mol
Exact Mass233.06
IUPAC NameN-[(E)-(1-methylpyrrol-2-yl)methylideneamino]thiophene-2-carboxamide
SMILESCn1cccc1/C=N/NC(=O)c1cccs1
InChIInChI=1S/C11H11N3OS/c1-14-6-2-4-9(14)8-12-13-11(15)10-5-3-7-16-10/h2-8H,1H3,(H,13,15)/b12-8+
InChIKeyZBARXLYVCNLMDC-XYOKQWHBSA-N
XLogP1.85
TPSA46.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_pyrrol(64)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]-2-thiophen-2-ylacetamide
CID 6862500
[(E)-(1-methylpyrrol-2-yl)methylideneamino]carbamic acid
CID 23220001
5-methyl-N-[(1-methylpyrrol-2-yl)methylideneamino]thiophene-3-carboxamide
CID 4062300
N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]-2-thiophen-2-ylquinoline-4-carboxamide
CID 6873662
(E)-3-(1-methylpyrrol-2-yl)-2-thiophen-2-ylprop-2-enoic acid
CID 43350577
N-[(Z)-(1-methylpyrrol-2-yl)methylideneamino]propanamide
CID 45123007
N-[(1-methylpyrrol-2-yl)methylideneamino]pyrazine-2-carboxamide
CID 668426
N-[(1-methylpyrrol-2-yl)methylideneamino]pyridine-3-carboxamide
CID 760108
N-[(E)-(2-iodophenyl)methylideneamino]thiophene-2-carboxamide
CID 6910346
N-[(Z)-(5-methylfuran-2-yl)methylideneamino]thiophene-2-carboxamide
CID 5390300
N-[(E)-(4-methylsulfanylphenyl)methylideneamino]thiophene-2-carboxamide
CID 6878439
N-[[4-(dimethylamino)phenyl]methylideneamino]thiophene-2-carboxamide
CID 773960

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]thiophene-2-carboxamide?
The IUPAC name of N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]thiophene-2-carboxamide (CID 6880392) is N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]thiophene-2-carboxamide.
What is the SMILES notation for N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]thiophene-2-carboxamide?
The canonical SMILES for N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]thiophene-2-carboxamide is Cn1cccc1/C=N/NC(=O)c1cccs1.
What is the InChIKey of N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]thiophene-2-carboxamide?
The InChIKey is ZBARXLYVCNLMDC-XYOKQWHBSA-N. The full InChI is InChI=1S/C11H11N3OS/c1-14-6-2-4-9(14)8-12-13-11(15)10-5-3-7-16-10/h2-8H,1H3,(H,13,15)/b12-8+.
What are the key properties of N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]thiophene-2-carboxamide?
N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]thiophene-2-carboxamide has a molecular weight of 233.30 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]thiophene-2-carboxamide is sourced from PubChem (CID 6880392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).