N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-4-methoxypiperidine-4-carboxamide

C16H19FN4O2S — CID 119777324

IUPACN-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-4-methoxypiperidine-4-carboxamide
SMILESCOC1(C(=O)Nc2nnc(Cc3ccccc3F)s2)CCNCC1
InChIInChI=1S/C16H19FN4O2S/c1-23-16(6-8-18-9-7-16)14(22)19-15-21-20-13(24-15)10-11-4-2-3-5-12(11)17/h2-5,18H,6-10H2,1H3,(H,19,21,22)
InChIKeyDPDNPENVWLXGPM-UHFFFAOYSA-N
MW350.42 g/mol
LogP1.98
Rot. Bonds5

About N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-4-methoxypiperidine-4-carboxamide

N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-4-methoxypiperidine-4-carboxamide (PubChem CID 119777324) has the molecular formula C16H19FN4O2S and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-4-methoxypiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-4-methoxypiperidine-4-carboxamide
PubChem CID119777324
Molecular FormulaC16H19FN4O2S
Molecular Weight350.42 g/mol
Exact Mass350.12
IUPAC NameN-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-4-methoxypiperidine-4-carboxamide
SMILESCOC1(C(=O)Nc2nnc(Cc3ccccc3F)s2)CCNCC1
InChIInChI=1S/C16H19FN4O2S/c1-23-16(6-8-18-9-7-16)14(22)19-15-21-20-13(24-15)10-11-4-2-3-5-12(11)17/h2-5,18H,6-10H2,1H3,(H,19,21,22)
InChIKeyDPDNPENVWLXGPM-UHFFFAOYSA-N
XLogP1.98
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-4-methoxypiperidine-4-carboxamide?
The IUPAC name of N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-4-methoxypiperidine-4-carboxamide (CID 119777324) is N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-4-methoxypiperidine-4-carboxamide.
What is the SMILES notation for N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-4-methoxypiperidine-4-carboxamide?
The canonical SMILES for N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-4-methoxypiperidine-4-carboxamide is COC1(C(=O)Nc2nnc(Cc3ccccc3F)s2)CCNCC1.
What is the InChIKey of N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-4-methoxypiperidine-4-carboxamide?
The InChIKey is DPDNPENVWLXGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O2S/c1-23-16(6-8-18-9-7-16)14(22)19-15-21-20-13(24-15)10-11-4-2-3-5-12(11)17/h2-5,18H,6-10H2,1H3,(H,19,21,22).
What are the key properties of N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-4-methoxypiperidine-4-carboxamide?
N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-4-methoxypiperidine-4-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-4-methoxypiperidine-4-carboxamide is sourced from PubChem (CID 119777324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).