N-[(Z)-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]furan-2-carboxamide

C13H12N4O2S — CID 9175406

IUPACN-[(Z)-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]furan-2-carboxamide
SMILESCc1nc2scc(C)n2c1/C=N\NC(=O)c1ccco1
InChIInChI=1S/C13H12N4O2S/c1-8-7-20-13-15-9(2)10(17(8)13)6-14-16-12(18)11-4-3-5-19-11/h3-7H,1-2H3,(H,16,18)/b14-6-
InChIKeyPMKCDKBSYSOTMI-NSIKDUERSA-N
MW288.33 g/mol
LogP2.37
Rot. Bonds3

About N-[(Z)-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]furan-2-carboxamide

N-[(Z)-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]furan-2-carboxamide (PubChem CID 9175406) has the molecular formula C13H12N4O2S and a molecular weight of 288.33 g/mol. Its IUPAC name is N-[(Z)-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]furan-2-carboxamide
PubChem CID9175406
Molecular FormulaC13H12N4O2S
Molecular Weight288.33 g/mol
Exact Mass288.07
IUPAC NameN-[(Z)-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]furan-2-carboxamide
SMILESCc1nc2scc(C)n2c1/C=N\NC(=O)c1ccco1
InChIInChI=1S/C13H12N4O2S/c1-8-7-20-13-15-9(2)10(17(8)13)6-14-16-12(18)11-4-3-5-19-11/h3-7H,1-2H3,(H,16,18)/b14-6-
InChIKeyPMKCDKBSYSOTMI-NSIKDUERSA-N
XLogP2.37
TPSA71.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[(Z)-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl N-[(Z)-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]carbamate
CID 9075334
N-[(Z)-(1,5-dimethylpyrrol-2-yl)methylideneamino]furan-2-carboxamide
CID 50855634
N-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]furan-2-carboxamide
CID 7406194
N-(pyridin-4-ylmethylideneamino)furan-2-carboxamide
CID 678532
N-[(Z)-(4-hydroxyphenyl)methylideneamino]furan-2-carboxamide
CID 136661630
N-[(5-methylfuran-2-yl)methylideneamino]furan-2-carboxamide
CID 668435
N-[(Z)-(3,4-dichlorophenyl)methylideneamino]furan-2-carboxamide
CID 5401936
N-[(Z)-[3-[(E)-(furan-2-carbonylhydrazinylidene)methyl]-2-hydroxy-5-methylphenyl]methylideneamino]furan-2-carboxamide
CID 135816538
N-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]furan-2-carboxamide
CID 7231244
N-[(E)-(2,5-dimethyl-1-phenylpyrrol-3-yl)methylideneamino]furan-2-carboxamide
CID 126002888
N-[(E)-(3-hydroxyphenyl)methylideneamino]furan-2-carboxamide
CID 6885887
N-[(Z)-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylideneamino]furan-2-carboxamide
CID 9149292

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]furan-2-carboxamide?
The IUPAC name of N-[(Z)-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]furan-2-carboxamide (CID 9175406) is N-[(Z)-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]furan-2-carboxamide.
What is the SMILES notation for N-[(Z)-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]furan-2-carboxamide?
The canonical SMILES for N-[(Z)-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]furan-2-carboxamide is Cc1nc2scc(C)n2c1/C=N\NC(=O)c1ccco1.
What is the InChIKey of N-[(Z)-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]furan-2-carboxamide?
The InChIKey is PMKCDKBSYSOTMI-NSIKDUERSA-N. The full InChI is InChI=1S/C13H12N4O2S/c1-8-7-20-13-15-9(2)10(17(8)13)6-14-16-12(18)11-4-3-5-19-11/h3-7H,1-2H3,(H,16,18)/b14-6-.
What are the key properties of N-[(Z)-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]furan-2-carboxamide?
N-[(Z)-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]furan-2-carboxamide has a molecular weight of 288.33 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]furan-2-carboxamide is sourced from PubChem (CID 9175406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).