N'-hydroxy-4-(4-phenylphenoxy)thieno[2,3-c]pyridine-2-carboximidamide;3-[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]-4H-1,2,4-oxadiazol-5-one

C41H28N6O5S2 — CID 158007408

IUPACN'-hydroxy-4-(4-phenylphenoxy)thieno[2,3-c]pyridine-2-carboximidamide;3-[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]-4H-1,2,4-oxadiazol-5-one
SMILESNC(=NO)c1cc2c(Oc3ccc(-c4ccccc4)cc3)cncc2s1.O=c1[nH]c(-c2cc3c(Oc4ccc(-c5ccccc5)cc4)cncc3s2)no1
InChIInChI=1S/C21H13N3O3S.C20H15N3O2S/c25-21-23-20(24-27-21)18-10-16-17(11-22-12-19(16)28-18)26-15-8-6-14(7-9-15)13-4-2-1-3-5-13;21-20(23-24)18-10-16-17(11-22-12-19(16)26-18)25-15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12H,(H,23,24,25);1-12,24H,(H2,21,23)
InChIKeyFELRBCPXVVNPDS-UHFFFAOYSA-N
MW748.85 g/mol
LogP9.95
Rot. Bonds8

About N'-hydroxy-4-(4-phenylphenoxy)thieno[2,3-c]pyridine-2-carboximidamide;3-[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]-4H-1,2,4-oxadiazol-5-one

N'-hydroxy-4-(4-phenylphenoxy)thieno[2,3-c]pyridine-2-carboximidamide;3-[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]-4H-1,2,4-oxadiazol-5-one (PubChem CID 158007408) has the molecular formula C41H28N6O5S2 and a molecular weight of 748.85 g/mol. Its IUPAC name is N'-hydroxy-4-(4-phenylphenoxy)thieno[2,3-c]pyridine-2-carboximidamide;3-[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]-4H-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound NameN'-hydroxy-4-(4-phenylphenoxy)thieno[2,3-c]pyridine-2-carboximidamide;3-[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]-4H-1,2,4-oxadiazol-5-one
PubChem CID158007408
Molecular FormulaC41H28N6O5S2
Molecular Weight748.85 g/mol
Exact Mass748.16
IUPAC NameN'-hydroxy-4-(4-phenylphenoxy)thieno[2,3-c]pyridine-2-carboximidamide;3-[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]-4H-1,2,4-oxadiazol-5-one
SMILESNC(=NO)c1cc2c(Oc3ccc(-c4ccccc4)cc3)cncc2s1.O=c1[nH]c(-c2cc3c(Oc4ccc(-c5ccccc5)cc4)cncc3s2)no1
InChIInChI=1S/C21H13N3O3S.C20H15N3O2S/c25-21-23-20(24-27-21)18-10-16-17(11-22-12-19(16)28-18)26-15-8-6-14(7-9-15)13-4-2-1-3-5-13;21-20(23-24)18-10-16-17(11-22-12-19(16)26-18)25-15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12H,(H,23,24,25);1-12,24H,(H2,21,23)
InChIKeyFELRBCPXVVNPDS-UHFFFAOYSA-N
XLogP9.95
TPSA161.74 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms54
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500748.85
LogP ≤ 59.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-hydroxy-4-(4-phenylphenoxy)thieno[2,3-c]pyridine-2-carboximidamide;3-[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]-4H-1,2,4-oxadiazol-5-one 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 N'-hydroxy-4-(4-phenylphenoxy)thieno[2,3-c]pyridine-2-carboximidamide;3-[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]-4H-1,2,4-oxadiazol-5-one?
The IUPAC name of N'-hydroxy-4-(4-phenylphenoxy)thieno[2,3-c]pyridine-2-carboximidamide;3-[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]-4H-1,2,4-oxadiazol-5-one (CID 158007408) is N'-hydroxy-4-(4-phenylphenoxy)thieno[2,3-c]pyridine-2-carboximidamide;3-[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]-4H-1,2,4-oxadiazol-5-one.
What is the SMILES notation for N'-hydroxy-4-(4-phenylphenoxy)thieno[2,3-c]pyridine-2-carboximidamide;3-[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]-4H-1,2,4-oxadiazol-5-one?
The canonical SMILES for N'-hydroxy-4-(4-phenylphenoxy)thieno[2,3-c]pyridine-2-carboximidamide;3-[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]-4H-1,2,4-oxadiazol-5-one is NC(=NO)c1cc2c(Oc3ccc(-c4ccccc4)cc3)cncc2s1.O=c1[nH]c(-c2cc3c(Oc4ccc(-c5ccccc5)cc4)cncc3s2)no1.
What is the InChIKey of N'-hydroxy-4-(4-phenylphenoxy)thieno[2,3-c]pyridine-2-carboximidamide;3-[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]-4H-1,2,4-oxadiazol-5-one?
The InChIKey is FELRBCPXVVNPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13N3O3S.C20H15N3O2S/c25-21-23-20(24-27-21)18-10-16-17(11-22-12-19(16)28-18)26-15-8-6-14(7-9-15)13-4-2-1-3-5-13;21-20(23-24)18-10-16-17(11-22-12-19(16)26-18)25-15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12H,(H,23,24,25);1-12,24H,(H2,21,23).
What are the key properties of N'-hydroxy-4-(4-phenylphenoxy)thieno[2,3-c]pyridine-2-carboximidamide;3-[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]-4H-1,2,4-oxadiazol-5-one?
N'-hydroxy-4-(4-phenylphenoxy)thieno[2,3-c]pyridine-2-carboximidamide;3-[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]-4H-1,2,4-oxadiazol-5-one has a molecular weight of 748.85 g/mol, XLogP of 9.95, 8 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-(4-phenylphenoxy)thieno[2,3-c]pyridine-2-carboximidamide;3-[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]-4H-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 158007408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).