N-(2-amino-5-thiophen-2-ylphenyl)-3-fluoroazetidine-1-carboxamide

C14H14FN3OS — CID 89157897

IUPACN-(2-amino-5-thiophen-2-ylphenyl)-3-fluoroazetidine-1-carboxamide
SMILESNc1ccc(-c2cccs2)cc1NC(=O)N1CC(F)C1
InChIInChI=1S/C14H14FN3OS/c15-10-7-18(8-10)14(19)17-12-6-9(3-4-11(12)16)13-2-1-5-20-13/h1-6,10H,7-8,16H2,(H,17,19)
InChIKeyMNPSRIAZPXEERY-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.18
Rot. Bonds2

About N-(2-amino-5-thiophen-2-ylphenyl)-3-fluoroazetidine-1-carboxamide

N-(2-amino-5-thiophen-2-ylphenyl)-3-fluoroazetidine-1-carboxamide (PubChem CID 89157897) has the molecular formula C14H14FN3OS and a molecular weight of 291.35 g/mol. Its IUPAC name is N-(2-amino-5-thiophen-2-ylphenyl)-3-fluoroazetidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-amino-5-thiophen-2-ylphenyl)-3-fluoroazetidine-1-carboxamide
PubChem CID89157897
Molecular FormulaC14H14FN3OS
Molecular Weight291.35 g/mol
Exact Mass291.08
IUPAC NameN-(2-amino-5-thiophen-2-ylphenyl)-3-fluoroazetidine-1-carboxamide
SMILESNc1ccc(-c2cccs2)cc1NC(=O)N1CC(F)C1
InChIInChI=1S/C14H14FN3OS/c15-10-7-18(8-10)14(19)17-12-6-9(3-4-11(12)16)13-2-1-5-20-13/h1-6,10H,7-8,16H2,(H,17,19)
InChIKeyMNPSRIAZPXEERY-UHFFFAOYSA-N
XLogP3.18
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-thiophen-2-ylphenyl)-3-fluoroazetidine-1-carboxamide?
The IUPAC name of N-(2-amino-5-thiophen-2-ylphenyl)-3-fluoroazetidine-1-carboxamide (CID 89157897) is N-(2-amino-5-thiophen-2-ylphenyl)-3-fluoroazetidine-1-carboxamide.
What is the SMILES notation for N-(2-amino-5-thiophen-2-ylphenyl)-3-fluoroazetidine-1-carboxamide?
The canonical SMILES for N-(2-amino-5-thiophen-2-ylphenyl)-3-fluoroazetidine-1-carboxamide is Nc1ccc(-c2cccs2)cc1NC(=O)N1CC(F)C1.
What is the InChIKey of N-(2-amino-5-thiophen-2-ylphenyl)-3-fluoroazetidine-1-carboxamide?
The InChIKey is MNPSRIAZPXEERY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3OS/c15-10-7-18(8-10)14(19)17-12-6-9(3-4-11(12)16)13-2-1-5-20-13/h1-6,10H,7-8,16H2,(H,17,19).
What are the key properties of N-(2-amino-5-thiophen-2-ylphenyl)-3-fluoroazetidine-1-carboxamide?
N-(2-amino-5-thiophen-2-ylphenyl)-3-fluoroazetidine-1-carboxamide has a molecular weight of 291.35 g/mol, XLogP of 3.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-thiophen-2-ylphenyl)-3-fluoroazetidine-1-carboxamide is sourced from PubChem (CID 89157897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).