(3S)-N-(5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide

C15H14FN5O2S — CID 27549246

IUPAC(3S)-N-(5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1nnc2n1CCS2)[C@H]1CC(=O)N(c2ccc(F)cc2)C1
InChIInChI=1S/C15H14FN5O2S/c16-10-1-3-11(4-2-10)21-8-9(7-12(21)22)13(23)17-14-18-19-15-20(14)5-6-24-15/h1-4,9H,5-8H2,(H,17,18,23)/t9-/m0/s1
InChIKeyWHGFSNZUGOHVAH-VIFPVBQESA-N
MW347.38 g/mol
LogP1.51
Rot. Bonds3

About (3S)-N-(5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide

(3S)-N-(5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 27549246) has the molecular formula C15H14FN5O2S and a molecular weight of 347.38 g/mol. Its IUPAC name is (3S)-N-(5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID27549246
Molecular FormulaC15H14FN5O2S
Molecular Weight347.38 g/mol
Exact Mass347.09
IUPAC Name(3S)-N-(5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1nnc2n1CCS2)[C@H]1CC(=O)N(c2ccc(F)cc2)C1
InChIInChI=1S/C15H14FN5O2S/c16-10-1-3-11(4-2-10)21-8-9(7-12(21)22)13(23)17-14-18-19-15-20(14)5-6-24-15/h1-4,9H,5-8H2,(H,17,18,23)/t9-/m0/s1
InChIKeyWHGFSNZUGOHVAH-VIFPVBQESA-N
XLogP1.51
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-(5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-(5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide (CID 27549246) is (3S)-N-(5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-(5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide is O=C(Nc1nnc2n1CCS2)[C@H]1CC(=O)N(c2ccc(F)cc2)C1.
What is the InChIKey of (3S)-N-(5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is WHGFSNZUGOHVAH-VIFPVBQESA-N. The full InChI is InChI=1S/C15H14FN5O2S/c16-10-1-3-11(4-2-10)21-8-9(7-12(21)22)13(23)17-14-18-19-15-20(14)5-6-24-15/h1-4,9H,5-8H2,(H,17,18,23)/t9-/m0/s1.
What are the key properties of (3S)-N-(5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
(3S)-N-(5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 347.38 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 27549246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).