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

C19H19FN4OS2 — CID 133456795

IUPACN-[1-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidin-4-yl]thiophene-3-carboxamide
SMILESO=C(NC1CCN(c2nnc(Cc3ccc(F)cc3)s2)CC1)c1ccsc1
InChIInChI=1S/C19H19FN4OS2/c20-15-3-1-13(2-4-15)11-17-22-23-19(27-17)24-8-5-16(6-9-24)21-18(25)14-7-10-26-12-14/h1-4,7,10,12,16H,5-6,8-9,11H2,(H,21,25)
InChIKeyYBPPSRYMISBOGK-UHFFFAOYSA-N
MW402.52 g/mol
LogP3.73
Rot. Bonds5

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

N-[1-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidin-4-yl]thiophene-3-carboxamide (PubChem CID 133456795) has the molecular formula C19H19FN4OS2 and a molecular weight of 402.52 g/mol. Its IUPAC name is N-[1-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidin-4-yl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[1-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidin-4-yl]thiophene-3-carboxamide
PubChem CID133456795
Molecular FormulaC19H19FN4OS2
Molecular Weight402.52 g/mol
Exact Mass402.10
IUPAC NameN-[1-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidin-4-yl]thiophene-3-carboxamide
SMILESO=C(NC1CCN(c2nnc(Cc3ccc(F)cc3)s2)CC1)c1ccsc1
InChIInChI=1S/C19H19FN4OS2/c20-15-3-1-13(2-4-15)11-17-22-23-19(27-17)24-8-5-16(6-9-24)21-18(25)14-7-10-26-12-14/h1-4,7,10,12,16H,5-6,8-9,11H2,(H,21,25)
InChIKeyYBPPSRYMISBOGK-UHFFFAOYSA-N
XLogP3.73
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidin-4-yl]thiophene-3-carboxamide?
The IUPAC name of N-[1-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidin-4-yl]thiophene-3-carboxamide (CID 133456795) is N-[1-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidin-4-yl]thiophene-3-carboxamide.
What is the SMILES notation for N-[1-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidin-4-yl]thiophene-3-carboxamide?
The canonical SMILES for N-[1-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidin-4-yl]thiophene-3-carboxamide is O=C(NC1CCN(c2nnc(Cc3ccc(F)cc3)s2)CC1)c1ccsc1.
What is the InChIKey of N-[1-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidin-4-yl]thiophene-3-carboxamide?
The InChIKey is YBPPSRYMISBOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4OS2/c20-15-3-1-13(2-4-15)11-17-22-23-19(27-17)24-8-5-16(6-9-24)21-18(25)14-7-10-26-12-14/h1-4,7,10,12,16H,5-6,8-9,11H2,(H,21,25).
What are the key properties of N-[1-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidin-4-yl]thiophene-3-carboxamide?
N-[1-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidin-4-yl]thiophene-3-carboxamide has a molecular weight of 402.52 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidin-4-yl]thiophene-3-carboxamide is sourced from PubChem (CID 133456795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).