4-chloro-N-[5-[(4-fluorophenyl)methylideneamino]-1,3,4-thiadiazol-2-yl]benzamide

C16H10ClFN4OS — CID 5136814

IUPAC4-chloro-N-[5-[(4-fluorophenyl)methylideneamino]-1,3,4-thiadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(N=Cc2ccc(F)cc2)s1)c1ccc(Cl)cc1
InChIInChI=1S/C16H10ClFN4OS/c17-12-5-3-11(4-6-12)14(23)20-16-22-21-15(24-16)19-9-10-1-7-13(18)8-2-10/h1-9H,(H,20,22,23)
InChIKeyFZRNSWANVSKDCI-UHFFFAOYSA-N
MW360.80 g/mol
LogP4.33
Rot. Bonds4

About 4-chloro-N-[5-[(4-fluorophenyl)methylideneamino]-1,3,4-thiadiazol-2-yl]benzamide

4-chloro-N-[5-[(4-fluorophenyl)methylideneamino]-1,3,4-thiadiazol-2-yl]benzamide (PubChem CID 5136814) has the molecular formula C16H10ClFN4OS and a molecular weight of 360.80 g/mol. Its IUPAC name is 4-chloro-N-[5-[(4-fluorophenyl)methylideneamino]-1,3,4-thiadiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[5-[(4-fluorophenyl)methylideneamino]-1,3,4-thiadiazol-2-yl]benzamide
PubChem CID5136814
Molecular FormulaC16H10ClFN4OS
Molecular Weight360.80 g/mol
Exact Mass360.02
IUPAC Name4-chloro-N-[5-[(4-fluorophenyl)methylideneamino]-1,3,4-thiadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(N=Cc2ccc(F)cc2)s1)c1ccc(Cl)cc1
InChIInChI=1S/C16H10ClFN4OS/c17-12-5-3-11(4-6-12)14(23)20-16-22-21-15(24-16)19-9-10-1-7-13(18)8-2-10/h1-9H,(H,20,22,23)
InChIKeyFZRNSWANVSKDCI-UHFFFAOYSA-N
XLogP4.33
TPSA67.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.80
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[5-[(4-fluorophenyl)methylideneamino]-1,3,4-thiadiazol-2-yl]benzamide?
The IUPAC name of 4-chloro-N-[5-[(4-fluorophenyl)methylideneamino]-1,3,4-thiadiazol-2-yl]benzamide (CID 5136814) is 4-chloro-N-[5-[(4-fluorophenyl)methylideneamino]-1,3,4-thiadiazol-2-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[5-[(4-fluorophenyl)methylideneamino]-1,3,4-thiadiazol-2-yl]benzamide?
The canonical SMILES for 4-chloro-N-[5-[(4-fluorophenyl)methylideneamino]-1,3,4-thiadiazol-2-yl]benzamide is O=C(Nc1nnc(N=Cc2ccc(F)cc2)s1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[5-[(4-fluorophenyl)methylideneamino]-1,3,4-thiadiazol-2-yl]benzamide?
The InChIKey is FZRNSWANVSKDCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClFN4OS/c17-12-5-3-11(4-6-12)14(23)20-16-22-21-15(24-16)19-9-10-1-7-13(18)8-2-10/h1-9H,(H,20,22,23).
What are the key properties of 4-chloro-N-[5-[(4-fluorophenyl)methylideneamino]-1,3,4-thiadiazol-2-yl]benzamide?
4-chloro-N-[5-[(4-fluorophenyl)methylideneamino]-1,3,4-thiadiazol-2-yl]benzamide has a molecular weight of 360.80 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[5-[(4-fluorophenyl)methylideneamino]-1,3,4-thiadiazol-2-yl]benzamide is sourced from PubChem (CID 5136814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).