N-(3-fluorophenyl)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)pyrrolidine-2-carboxamide

C17H16FN5O2S — CID 6625370

IUPACN-(3-fluorophenyl)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)pyrrolidine-2-carboxamide
SMILESCc1cc(=O)n2nc(N3CCCC3C(=O)Nc3cccc(F)c3)sc2n1
InChIInChI=1S/C17H16FN5O2S/c1-10-8-14(24)23-16(19-10)26-17(21-23)22-7-3-6-13(22)15(25)20-12-5-2-4-11(18)9-12/h2,4-5,8-9,13H,3,6-7H2,1H3,(H,20,25)
InChIKeyFULPVULLNRTQME-UHFFFAOYSA-N
MW373.41 g/mol
LogP2.21
Rot. Bonds3

About N-(3-fluorophenyl)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)pyrrolidine-2-carboxamide

N-(3-fluorophenyl)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)pyrrolidine-2-carboxamide (PubChem CID 6625370) has the molecular formula C17H16FN5O2S and a molecular weight of 373.41 g/mol. Its IUPAC name is N-(3-fluorophenyl)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)pyrrolidine-2-carboxamide
PubChem CID6625370
Molecular FormulaC17H16FN5O2S
Molecular Weight373.41 g/mol
Exact Mass373.10
IUPAC NameN-(3-fluorophenyl)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)pyrrolidine-2-carboxamide
SMILESCc1cc(=O)n2nc(N3CCCC3C(=O)Nc3cccc(F)c3)sc2n1
InChIInChI=1S/C17H16FN5O2S/c1-10-8-14(24)23-16(19-10)26-17(21-23)22-7-3-6-13(22)15(25)20-12-5-2-4-11(18)9-12/h2,4-5,8-9,13H,3,6-7H2,1H3,(H,20,25)
InChIKeyFULPVULLNRTQME-UHFFFAOYSA-N
XLogP2.21
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)pyrrolidine-2-carboxamide (CID 6625370) is N-(3-fluorophenyl)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)pyrrolidine-2-carboxamide is Cc1cc(=O)n2nc(N3CCCC3C(=O)Nc3cccc(F)c3)sc2n1.
What is the InChIKey of N-(3-fluorophenyl)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)pyrrolidine-2-carboxamide?
The InChIKey is FULPVULLNRTQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5O2S/c1-10-8-14(24)23-16(19-10)26-17(21-23)22-7-3-6-13(22)15(25)20-12-5-2-4-11(18)9-12/h2,4-5,8-9,13H,3,6-7H2,1H3,(H,20,25).
What are the key properties of N-(3-fluorophenyl)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)pyrrolidine-2-carboxamide?
N-(3-fluorophenyl)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)pyrrolidine-2-carboxamide has a molecular weight of 373.41 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 6625370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).