Myc-IN-2

C25H17N3O2S — CID 145985805

IUPAC4-[2-(furan-2-yl)-6-[4-(1,3-thiazol-2-yl)phenyl]-4-pyridinyl]benzamide
SMILESC1=COC(=C1)C2=CC(=CC(=N2)C3=CC=C(C=C3)C4=NC=CS4)C5=CC=C(C=C5)C(=O)N
InChIInChI=1S/C25H17N3O2S/c26-24(29)18-7-3-16(4-8-18)20-14-21(28-22(15-20)23-2-1-12-30-23)17-5-9-19(10-6-17)25-27-11-13-31-25/h1-15H,(H2,26,29)
InChIKeyHMVOKQDXOYWIBC-UHFFFAOYSA-N
MW423.50 g/mol
LogP4.50
Rot. Bonds5

About Myc-IN-2

Myc-IN-2 (PubChem CID 145985805) has the molecular formula C25H17N3O2S and a molecular weight of 423.50 g/mol. Its IUPAC name is 4-[2-(furan-2-yl)-6-[4-(1,3-thiazol-2-yl)phenyl]-4-pyridinyl]benzamide.

Molecular Properties

Compound NameMyc-IN-2
PubChem CID145985805
Molecular FormulaC25H17N3O2S
Molecular Weight423.50 g/mol
Exact Mass423.10
IUPAC Name4-[2-(furan-2-yl)-6-[4-(1,3-thiazol-2-yl)phenyl]-4-pyridinyl]benzamide
SMILESC1=COC(=C1)C2=CC(=CC(=N2)C3=CC=C(C=C3)C4=NC=CS4)C5=CC=C(C=C5)C(=O)N
InChIInChI=1S/C25H17N3O2S/c26-24(29)18-7-3-16(4-8-18)20-14-21(28-22(15-20)23-2-1-12-30-23)17-5-9-19(10-6-17)25-27-11-13-31-25/h1-15H,(H2,26,29)
InChIKeyHMVOKQDXOYWIBC-UHFFFAOYSA-N
XLogP4.50
TPSA110.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity604

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.50
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-Furan-2-yl-2-(pyridin-4-ylmethylsulfanyl)-4-trifluoromethyl-nicotinonitrile
CID 648122
4-(Furan-2-yl)-2-pyridin-3-yl-1,3-thiazole
CID 2347622
4-(Furan-2-yl)-2-pyridin-2-yl-1,3-thiazole
CID 2562136
n-(2-Methyl-5-1,3-thiazol-2-yl-phenyl)-4-(pyridin-2-ylmethoxy)benzamide
CID 67379418
6-(2-Furyl)-2-[(2-pyridinylmethyl)thio]-4-(trifluoromethyl)nicotinonitrile
CID 1086433
2-(furan-2-yl)-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 2082785
2-[2-(Furan-2-yl)-6-[4-(1,3-thiazol-2-yl)phenyl]-4-pyridinyl]-1,3-thiazole
CID 145983842
2-[4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-N-pyridin-4-ylacetamide
CID 166626633
2-[4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-N-methyl-N-pyridin-4-ylacetamide
CID 166630923
2-[4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-N-phenylacetamide
CID 166633433
2-(3-Pyridyl)-5-isobutyl-4-[2-(5-phosphono)furanyl]thiazole
CID 50993447
4-(4-Fluorophenyl)-5-(thiazol-5-ylmethoxy)picolinamide
CID 122539741

Frequently Asked Questions

What is the IUPAC name of Myc-IN-2?
The IUPAC name of Myc-IN-2 (CID 145985805) is 4-[2-(furan-2-yl)-6-[4-(1,3-thiazol-2-yl)phenyl]-4-pyridinyl]benzamide.
What is the SMILES notation for Myc-IN-2?
The canonical SMILES for Myc-IN-2 is C1=COC(=C1)C2=CC(=CC(=N2)C3=CC=C(C=C3)C4=NC=CS4)C5=CC=C(C=C5)C(=O)N.
What is the InChIKey of Myc-IN-2?
The InChIKey is HMVOKQDXOYWIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17N3O2S/c26-24(29)18-7-3-16(4-8-18)20-14-21(28-22(15-20)23-2-1-12-30-23)17-5-9-19(10-6-17)25-27-11-13-31-25/h1-15H,(H2,26,29).
What are the key properties of Myc-IN-2?
Myc-IN-2 has a molecular weight of 423.50 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for Myc-IN-2 is sourced from PubChem (CID 145985805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).