5-(4-fluorophenyl)-N-[(Z)-1-pyridin-3-ylethylideneamino]thiophene-2-carboxamide

C18H14FN3OS — CID 9182638

IUPAC5-(4-fluorophenyl)-N-[(Z)-1-pyridin-3-ylethylideneamino]thiophene-2-carboxamide
SMILESC/C(=N/NC(=O)c1ccc(-c2ccc(F)cc2)s1)c1cccnc1
InChIInChI=1S/C18H14FN3OS/c1-12(14-3-2-10-20-11-14)21-22-18(23)17-9-8-16(24-17)13-4-6-15(19)7-5-13/h2-11H,1H3,(H,22,23)/b21-12-
InChIKeyLWXDPTXKGKKACL-MTJSOVHGSA-N
MW339.40 g/mol
LogP4.10
Rot. Bonds4

About 5-(4-fluorophenyl)-N-[(Z)-1-pyridin-3-ylethylideneamino]thiophene-2-carboxamide

5-(4-fluorophenyl)-N-[(Z)-1-pyridin-3-ylethylideneamino]thiophene-2-carboxamide (PubChem CID 9182638) has the molecular formula C18H14FN3OS and a molecular weight of 339.40 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-[(Z)-1-pyridin-3-ylethylideneamino]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-[(Z)-1-pyridin-3-ylethylideneamino]thiophene-2-carboxamide
PubChem CID9182638
Molecular FormulaC18H14FN3OS
Molecular Weight339.40 g/mol
Exact Mass339.08
IUPAC Name5-(4-fluorophenyl)-N-[(Z)-1-pyridin-3-ylethylideneamino]thiophene-2-carboxamide
SMILESC/C(=N/NC(=O)c1ccc(-c2ccc(F)cc2)s1)c1cccnc1
InChIInChI=1S/C18H14FN3OS/c1-12(14-3-2-10-20-11-14)21-22-18(23)17-9-8-16(24-17)13-4-6-15(19)7-5-13/h2-11H,1H3,(H,22,23)/b21-12-
InChIKeyLWXDPTXKGKKACL-MTJSOVHGSA-N
XLogP4.10
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(4-fluorophenyl)-N-[(Z)-1-pyridin-4-ylethylideneamino]thiophene-2-carboxamide
CID 9182631
5-chloro-N-(1-pyridin-3-ylethylideneamino)thiophene-2-carboxamide
CID 24819783
5-(4-fluorophenyl)-N-(2-pyridin-3-ylethyl)thiophene-2-carboxamide
CID 24661243
5-(4-fluorophenyl)-N-[(Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylideneamino]thiophene-2-carboxamide
CID 9298327
N-[1-[3-(trifluoromethyl)phenyl]ethylideneamino]pyridine-3-carboxamide
CID 4836895
[(Z)-1-pyridin-3-ylethylideneamino]urea
CID 5355222
N-[(Z)-1-(4-iodophenyl)ethylideneamino]pyridine-3-carboxamide
CID 9059749
N-[1-(3-methoxyphenyl)ethylideneamino]pyridine-3-carboxamide
CID 4227241
N-[1-(4-tert-butylphenyl)ethylideneamino]pyridine-3-carboxamide
CID 4836871
N-[1-(3,4-dimethylphenyl)ethylideneamino]pyridine-3-carboxamide
CID 4683801
(E)-1-[5-(4-fluorophenyl)thiophen-2-yl]-3-pyridin-3-ylprop-2-en-1-one
CID 30467259
N-[(Z)-1-(2,4,5-trimethylphenyl)ethylideneamino]pyridine-3-carboxamide
CID 9059755

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-[(Z)-1-pyridin-3-ylethylideneamino]thiophene-2-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-N-[(Z)-1-pyridin-3-ylethylideneamino]thiophene-2-carboxamide (CID 9182638) is 5-(4-fluorophenyl)-N-[(Z)-1-pyridin-3-ylethylideneamino]thiophene-2-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-[(Z)-1-pyridin-3-ylethylideneamino]thiophene-2-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-[(Z)-1-pyridin-3-ylethylideneamino]thiophene-2-carboxamide is C/C(=N/NC(=O)c1ccc(-c2ccc(F)cc2)s1)c1cccnc1.
What is the InChIKey of 5-(4-fluorophenyl)-N-[(Z)-1-pyridin-3-ylethylideneamino]thiophene-2-carboxamide?
The InChIKey is LWXDPTXKGKKACL-MTJSOVHGSA-N. The full InChI is InChI=1S/C18H14FN3OS/c1-12(14-3-2-10-20-11-14)21-22-18(23)17-9-8-16(24-17)13-4-6-15(19)7-5-13/h2-11H,1H3,(H,22,23)/b21-12-.
What are the key properties of 5-(4-fluorophenyl)-N-[(Z)-1-pyridin-3-ylethylideneamino]thiophene-2-carboxamide?
5-(4-fluorophenyl)-N-[(Z)-1-pyridin-3-ylethylideneamino]thiophene-2-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-[(Z)-1-pyridin-3-ylethylideneamino]thiophene-2-carboxamide is sourced from PubChem (CID 9182638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).