5-methyl-N-[(1-methylpyrrol-2-yl)methylideneamino]thiophene-3-carboxamide

C12H13N3OS — CID 4062300

IUPAC5-methyl-N-[(1-methylpyrrol-2-yl)methylideneamino]thiophene-3-carboxamide
SMILESCc1cc(C(=O)NN=Cc2cccn2C)cs1
InChIInChI=1S/C12H13N3OS/c1-9-6-10(8-17-9)12(16)14-13-7-11-4-3-5-15(11)2/h3-8H,1-2H3,(H,14,16)
InChIKeyFAWYTOQWOKTSGP-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.16
Rot. Bonds3

About 5-methyl-N-[(1-methylpyrrol-2-yl)methylideneamino]thiophene-3-carboxamide

5-methyl-N-[(1-methylpyrrol-2-yl)methylideneamino]thiophene-3-carboxamide (PubChem CID 4062300) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is 5-methyl-N-[(1-methylpyrrol-2-yl)methylideneamino]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[(1-methylpyrrol-2-yl)methylideneamino]thiophene-3-carboxamide
PubChem CID4062300
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC Name5-methyl-N-[(1-methylpyrrol-2-yl)methylideneamino]thiophene-3-carboxamide
SMILESCc1cc(C(=O)NN=Cc2cccn2C)cs1
InChIInChI=1S/C12H13N3OS/c1-9-6-10(8-17-9)12(16)14-13-7-11-4-3-5-15(11)2/h3-8H,1-2H3,(H,14,16)
InChIKeyFAWYTOQWOKTSGP-UHFFFAOYSA-N
XLogP2.16
TPSA46.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.16
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]thiophene-2-carboxamide
CID 6880392
[(E)-(1-methylpyrrol-2-yl)methylideneamino]carbamic acid
CID 23220001
3-(dimethylamino)-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]benzamide
CID 6875121
N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-5-methylthiophene-3-carboxamide
CID 6021448
N-[(1-methylpyrrol-2-yl)methylideneamino]pyridine-3-carboxamide
CID 760108
N-[(1-methylpyrrol-2-yl)methylideneamino]pyrazine-2-carboxamide
CID 668426
N-[(Z)-(1-methylpyrrol-2-yl)methylideneamino]propanamide
CID 45123007
N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]-2-thiophen-2-ylacetamide
CID 6862500
1-[(Z)-(1-methylpyrrol-2-yl)methylideneamino]-3-phenylurea
CID 6450773
N-[(Z)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]-5-methylthiophene-3-carboxamide
CID 136728466
3-(4-methoxyphenyl)-N-[(1-methylpyrrol-2-yl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 2048431
N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]quinoline-2-carboxamide
CID 42994985

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(1-methylpyrrol-2-yl)methylideneamino]thiophene-3-carboxamide?
The IUPAC name of 5-methyl-N-[(1-methylpyrrol-2-yl)methylideneamino]thiophene-3-carboxamide (CID 4062300) is 5-methyl-N-[(1-methylpyrrol-2-yl)methylideneamino]thiophene-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[(1-methylpyrrol-2-yl)methylideneamino]thiophene-3-carboxamide?
The canonical SMILES for 5-methyl-N-[(1-methylpyrrol-2-yl)methylideneamino]thiophene-3-carboxamide is Cc1cc(C(=O)NN=Cc2cccn2C)cs1.
What is the InChIKey of 5-methyl-N-[(1-methylpyrrol-2-yl)methylideneamino]thiophene-3-carboxamide?
The InChIKey is FAWYTOQWOKTSGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS/c1-9-6-10(8-17-9)12(16)14-13-7-11-4-3-5-15(11)2/h3-8H,1-2H3,(H,14,16).
What are the key properties of 5-methyl-N-[(1-methylpyrrol-2-yl)methylideneamino]thiophene-3-carboxamide?
5-methyl-N-[(1-methylpyrrol-2-yl)methylideneamino]thiophene-3-carboxamide has a molecular weight of 247.32 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(1-methylpyrrol-2-yl)methylideneamino]thiophene-3-carboxamide is sourced from PubChem (CID 4062300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).