N-[(2-chloro-6-fluorophenyl)methyl]-4-cyclopentylthiadiazole-5-carboxamide

C15H15ClFN3OS — CID 25190402

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-4-cyclopentylthiadiazole-5-carboxamide
SMILESO=C(NCc1c(F)cccc1Cl)c1snnc1C1CCCC1
InChIInChI=1S/C15H15ClFN3OS/c16-11-6-3-7-12(17)10(11)8-18-15(21)14-13(19-20-22-14)9-4-1-2-5-9/h3,6-7,9H,1-2,4-5,8H2,(H,18,21)
InChIKeyHOYWJQRKDGORKU-UHFFFAOYSA-N
MW339.82 g/mol
LogP3.92
Rot. Bonds4

About N-[(2-chloro-6-fluorophenyl)methyl]-4-cyclopentylthiadiazole-5-carboxamide

N-[(2-chloro-6-fluorophenyl)methyl]-4-cyclopentylthiadiazole-5-carboxamide (PubChem CID 25190402) has the molecular formula C15H15ClFN3OS and a molecular weight of 339.82 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-4-cyclopentylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-4-cyclopentylthiadiazole-5-carboxamide
PubChem CID25190402
Molecular FormulaC15H15ClFN3OS
Molecular Weight339.82 g/mol
Exact Mass339.06
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-4-cyclopentylthiadiazole-5-carboxamide
SMILESO=C(NCc1c(F)cccc1Cl)c1snnc1C1CCCC1
InChIInChI=1S/C15H15ClFN3OS/c16-11-6-3-7-12(17)10(11)8-18-15(21)14-13(19-20-22-14)9-4-1-2-5-9/h3,6-7,9H,1-2,4-5,8H2,(H,18,21)
InChIKeyHOYWJQRKDGORKU-UHFFFAOYSA-N
XLogP3.92
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.82
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-4-cyclopentylthiadiazole-5-carboxamide?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-4-cyclopentylthiadiazole-5-carboxamide (CID 25190402) is N-[(2-chloro-6-fluorophenyl)methyl]-4-cyclopentylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-4-cyclopentylthiadiazole-5-carboxamide?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-4-cyclopentylthiadiazole-5-carboxamide is O=C(NCc1c(F)cccc1Cl)c1snnc1C1CCCC1.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-4-cyclopentylthiadiazole-5-carboxamide?
The InChIKey is HOYWJQRKDGORKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN3OS/c16-11-6-3-7-12(17)10(11)8-18-15(21)14-13(19-20-22-14)9-4-1-2-5-9/h3,6-7,9H,1-2,4-5,8H2,(H,18,21).
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-4-cyclopentylthiadiazole-5-carboxamide?
N-[(2-chloro-6-fluorophenyl)methyl]-4-cyclopentylthiadiazole-5-carboxamide has a molecular weight of 339.82 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-4-cyclopentylthiadiazole-5-carboxamide is sourced from PubChem (CID 25190402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).