N-[2-[4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]formamide

C16H20FN5OS — CID 143521645

IUPACN-[2-[4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]formamide
SMILESO=CNCCN1CCN(c2nc(Cc3ccc(F)cc3)ns2)CC1
InChIInChI=1S/C16H20FN5OS/c17-14-3-1-13(2-4-14)11-15-19-16(24-20-15)22-9-7-21(8-10-22)6-5-18-12-23/h1-4,12H,5-11H2,(H,18,23)
InChIKeyFHLLEUNLAOJYTG-UHFFFAOYSA-N
MW349.44 g/mol
LogP1.14
Rot. Bonds7

About N-[2-[4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]formamide

N-[2-[4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]formamide (PubChem CID 143521645) has the molecular formula C16H20FN5OS and a molecular weight of 349.44 g/mol. Its IUPAC name is N-[2-[4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]formamide.

Molecular Properties

Compound NameN-[2-[4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]formamide
PubChem CID143521645
Molecular FormulaC16H20FN5OS
Molecular Weight349.44 g/mol
Exact Mass349.14
IUPAC NameN-[2-[4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]formamide
SMILESO=CNCCN1CCN(c2nc(Cc3ccc(F)cc3)ns2)CC1
InChIInChI=1S/C16H20FN5OS/c17-14-3-1-13(2-4-14)11-15-19-16(24-20-15)22-9-7-21(8-10-22)6-5-18-12-23/h1-4,12H,5-11H2,(H,18,23)
InChIKeyFHLLEUNLAOJYTG-UHFFFAOYSA-N
XLogP1.14
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]formamide?
The IUPAC name of N-[2-[4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]formamide (CID 143521645) is N-[2-[4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]formamide.
What is the SMILES notation for N-[2-[4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]formamide?
The canonical SMILES for N-[2-[4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]formamide is O=CNCCN1CCN(c2nc(Cc3ccc(F)cc3)ns2)CC1.
What is the InChIKey of N-[2-[4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]formamide?
The InChIKey is FHLLEUNLAOJYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN5OS/c17-14-3-1-13(2-4-14)11-15-19-16(24-20-15)22-9-7-21(8-10-22)6-5-18-12-23/h1-4,12H,5-11H2,(H,18,23).
What are the key properties of N-[2-[4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]formamide?
N-[2-[4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]formamide has a molecular weight of 349.44 g/mol, XLogP of 1.14, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]formamide is sourced from PubChem (CID 143521645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).