5-(3-hydroxy-3-methylbut-1-ynyl)-N-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]furan-2-carboxamide

C17H17N3O3S — CID 50978315

IUPAC5-(3-hydroxy-3-methylbut-1-ynyl)-N-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]furan-2-carboxamide
SMILESCc1cn2cc(CNC(=O)c3ccc(C#CC(C)(C)O)o3)nc2s1
InChIInChI=1S/C17H17N3O3S/c1-11-9-20-10-12(19-16(20)24-11)8-18-15(21)14-5-4-13(23-14)6-7-17(2,3)22/h4-5,9-10,22H,8H2,1-3H3,(H,18,21)
InChIKeyIZBNXGYQMZQVHG-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.35
Rot. Bonds3

About 5-(3-hydroxy-3-methylbut-1-ynyl)-N-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]furan-2-carboxamide

5-(3-hydroxy-3-methylbut-1-ynyl)-N-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]furan-2-carboxamide (PubChem CID 50978315) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is 5-(3-hydroxy-3-methylbut-1-ynyl)-N-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(3-hydroxy-3-methylbut-1-ynyl)-N-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]furan-2-carboxamide
PubChem CID50978315
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC Name5-(3-hydroxy-3-methylbut-1-ynyl)-N-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]furan-2-carboxamide
SMILESCc1cn2cc(CNC(=O)c3ccc(C#CC(C)(C)O)o3)nc2s1
InChIInChI=1S/C17H17N3O3S/c1-11-9-20-10-12(19-16(20)24-11)8-18-15(21)14-5-4-13(23-14)6-7-17(2,3)22/h4-5,9-10,22H,8H2,1-3H3,(H,18,21)
InChIKeyIZBNXGYQMZQVHG-UHFFFAOYSA-N
XLogP2.35
TPSA79.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 5-(3-hydroxy-3-methylbut-1-ynyl)-N-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]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

Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxy-3-methylbut-1-ynyl)-N-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]furan-2-carboxamide?
The IUPAC name of 5-(3-hydroxy-3-methylbut-1-ynyl)-N-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]furan-2-carboxamide (CID 50978315) is 5-(3-hydroxy-3-methylbut-1-ynyl)-N-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]furan-2-carboxamide.
What is the SMILES notation for 5-(3-hydroxy-3-methylbut-1-ynyl)-N-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]furan-2-carboxamide?
The canonical SMILES for 5-(3-hydroxy-3-methylbut-1-ynyl)-N-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]furan-2-carboxamide is Cc1cn2cc(CNC(=O)c3ccc(C#CC(C)(C)O)o3)nc2s1.
What is the InChIKey of 5-(3-hydroxy-3-methylbut-1-ynyl)-N-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]furan-2-carboxamide?
The InChIKey is IZBNXGYQMZQVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-11-9-20-10-12(19-16(20)24-11)8-18-15(21)14-5-4-13(23-14)6-7-17(2,3)22/h4-5,9-10,22H,8H2,1-3H3,(H,18,21).
What are the key properties of 5-(3-hydroxy-3-methylbut-1-ynyl)-N-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]furan-2-carboxamide?
5-(3-hydroxy-3-methylbut-1-ynyl)-N-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]furan-2-carboxamide has a molecular weight of 343.41 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxy-3-methylbut-1-ynyl)-N-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 50978315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).