2,7-dimethyl-N-[(Z)-thiophen-2-ylmethylideneamino]imidazo[1,2-a]pyridine-3-carboxamide

C15H14N4OS — CID 5344319

IUPAC2,7-dimethyl-N-[(Z)-thiophen-2-ylmethylideneamino]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccn2c(C(=O)N/N=C\c3cccs3)c(C)nc2c1
InChIInChI=1S/C15H14N4OS/c1-10-5-6-19-13(8-10)17-11(2)14(19)15(20)18-16-9-12-4-3-7-21-12/h3-9H,1-2H3,(H,18,20)/b16-9-
InChIKeyVZZUVBBCDDRMGD-SXGWCWSVSA-N
MW298.37 g/mol
LogP2.78
Rot. Bonds3

About 2,7-dimethyl-N-[(Z)-thiophen-2-ylmethylideneamino]imidazo[1,2-a]pyridine-3-carboxamide

2,7-dimethyl-N-[(Z)-thiophen-2-ylmethylideneamino]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 5344319) has the molecular formula C15H14N4OS and a molecular weight of 298.37 g/mol. Its IUPAC name is 2,7-dimethyl-N-[(Z)-thiophen-2-ylmethylideneamino]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name2,7-dimethyl-N-[(Z)-thiophen-2-ylmethylideneamino]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID5344319
Molecular FormulaC15H14N4OS
Molecular Weight298.37 g/mol
Exact Mass298.09
IUPAC Name2,7-dimethyl-N-[(Z)-thiophen-2-ylmethylideneamino]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccn2c(C(=O)N/N=C\c3cccs3)c(C)nc2c1
InChIInChI=1S/C15H14N4OS/c1-10-5-6-19-13(8-10)17-11(2)14(19)15(20)18-16-9-12-4-3-7-21-12/h3-9H,1-2H3,(H,18,20)/b16-9-
InChIKeyVZZUVBBCDDRMGD-SXGWCWSVSA-N
XLogP2.78
TPSA58.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 2,7-dimethyl-N-[(Z)-thiophen-2-ylmethylideneamino]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 2,7-dimethyl-N-[(Z)-thiophen-2-ylmethylideneamino]imidazo[1,2-a]pyridine-3-carboxamide (CID 5344319) is 2,7-dimethyl-N-[(Z)-thiophen-2-ylmethylideneamino]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 2,7-dimethyl-N-[(Z)-thiophen-2-ylmethylideneamino]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 2,7-dimethyl-N-[(Z)-thiophen-2-ylmethylideneamino]imidazo[1,2-a]pyridine-3-carboxamide is Cc1ccn2c(C(=O)N/N=C\c3cccs3)c(C)nc2c1.
What is the InChIKey of 2,7-dimethyl-N-[(Z)-thiophen-2-ylmethylideneamino]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is VZZUVBBCDDRMGD-SXGWCWSVSA-N. The full InChI is InChI=1S/C15H14N4OS/c1-10-5-6-19-13(8-10)17-11(2)14(19)15(20)18-16-9-12-4-3-7-21-12/h3-9H,1-2H3,(H,18,20)/b16-9-.
What are the key properties of 2,7-dimethyl-N-[(Z)-thiophen-2-ylmethylideneamino]imidazo[1,2-a]pyridine-3-carboxamide?
2,7-dimethyl-N-[(Z)-thiophen-2-ylmethylideneamino]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 298.37 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-N-[(Z)-thiophen-2-ylmethylideneamino]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 5344319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).