N-[3-(3-fluorophenyl)-2-pyrrol-1-ylpropyl]-4-methylthiadiazole-5-carboxamide

C17H17FN4OS — CID 71784682

IUPACN-[3-(3-fluorophenyl)-2-pyrrol-1-ylpropyl]-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NCC(Cc1cccc(F)c1)n1cccc1
InChIInChI=1S/C17H17FN4OS/c1-12-16(24-21-20-12)17(23)19-11-15(22-7-2-3-8-22)10-13-5-4-6-14(18)9-13/h2-9,15H,10-11H2,1H3,(H,19,23)
InChIKeyHGQASDGTRISFOZ-UHFFFAOYSA-N
MW344.42 g/mol
LogP3.00
Rot. Bonds6

About N-[3-(3-fluorophenyl)-2-pyrrol-1-ylpropyl]-4-methylthiadiazole-5-carboxamide

N-[3-(3-fluorophenyl)-2-pyrrol-1-ylpropyl]-4-methylthiadiazole-5-carboxamide (PubChem CID 71784682) has the molecular formula C17H17FN4OS and a molecular weight of 344.42 g/mol. Its IUPAC name is N-[3-(3-fluorophenyl)-2-pyrrol-1-ylpropyl]-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(3-fluorophenyl)-2-pyrrol-1-ylpropyl]-4-methylthiadiazole-5-carboxamide
PubChem CID71784682
Molecular FormulaC17H17FN4OS
Molecular Weight344.42 g/mol
Exact Mass344.11
IUPAC NameN-[3-(3-fluorophenyl)-2-pyrrol-1-ylpropyl]-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NCC(Cc1cccc(F)c1)n1cccc1
InChIInChI=1S/C17H17FN4OS/c1-12-16(24-21-20-12)17(23)19-11-15(22-7-2-3-8-22)10-13-5-4-6-14(18)9-13/h2-9,15H,10-11H2,1H3,(H,19,23)
InChIKeyHGQASDGTRISFOZ-UHFFFAOYSA-N
XLogP3.00
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-fluorophenyl)-2-pyrrol-1-ylpropyl]-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-[3-(3-fluorophenyl)-2-pyrrol-1-ylpropyl]-4-methylthiadiazole-5-carboxamide (CID 71784682) is N-[3-(3-fluorophenyl)-2-pyrrol-1-ylpropyl]-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[3-(3-fluorophenyl)-2-pyrrol-1-ylpropyl]-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-[3-(3-fluorophenyl)-2-pyrrol-1-ylpropyl]-4-methylthiadiazole-5-carboxamide is Cc1nnsc1C(=O)NCC(Cc1cccc(F)c1)n1cccc1.
What is the InChIKey of N-[3-(3-fluorophenyl)-2-pyrrol-1-ylpropyl]-4-methylthiadiazole-5-carboxamide?
The InChIKey is HGQASDGTRISFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4OS/c1-12-16(24-21-20-12)17(23)19-11-15(22-7-2-3-8-22)10-13-5-4-6-14(18)9-13/h2-9,15H,10-11H2,1H3,(H,19,23).
What are the key properties of N-[3-(3-fluorophenyl)-2-pyrrol-1-ylpropyl]-4-methylthiadiazole-5-carboxamide?
N-[3-(3-fluorophenyl)-2-pyrrol-1-ylpropyl]-4-methylthiadiazole-5-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-fluorophenyl)-2-pyrrol-1-ylpropyl]-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 71784682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).