N-cyclopropyl-3-fluoro-1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]pyrrolidine-3-carboxamide

C12H17FN4O2S — CID 171326598

IUPACN-cyclopropyl-3-fluoro-1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]pyrrolidine-3-carboxamide
SMILESCOCc1nsc(N2CCC(F)(C(=O)NC3CC3)C2)n1
InChIInChI=1S/C12H17FN4O2S/c1-19-6-9-15-11(20-16-9)17-5-4-12(13,7-17)10(18)14-8-2-3-8/h8H,2-7H2,1H3,(H,14,18)
InChIKeyNPZFIXUTGPFOJD-UHFFFAOYSA-N
MW300.36 g/mol
LogP0.88
Rot. Bonds5

About N-cyclopropyl-3-fluoro-1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]pyrrolidine-3-carboxamide

N-cyclopropyl-3-fluoro-1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]pyrrolidine-3-carboxamide (PubChem CID 171326598) has the molecular formula C12H17FN4O2S and a molecular weight of 300.36 g/mol. Its IUPAC name is N-cyclopropyl-3-fluoro-1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-3-fluoro-1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]pyrrolidine-3-carboxamide
PubChem CID171326598
Molecular FormulaC12H17FN4O2S
Molecular Weight300.36 g/mol
Exact Mass300.11
IUPAC NameN-cyclopropyl-3-fluoro-1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]pyrrolidine-3-carboxamide
SMILESCOCc1nsc(N2CCC(F)(C(=O)NC3CC3)C2)n1
InChIInChI=1S/C12H17FN4O2S/c1-19-6-9-15-11(20-16-9)17-5-4-12(13,7-17)10(18)14-8-2-3-8/h8H,2-7H2,1H3,(H,14,18)
InChIKeyNPZFIXUTGPFOJD-UHFFFAOYSA-N
XLogP0.88
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-fluoro-1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]pyrrolidine-3-carboxamide?
The IUPAC name of N-cyclopropyl-3-fluoro-1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]pyrrolidine-3-carboxamide (CID 171326598) is N-cyclopropyl-3-fluoro-1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-3-fluoro-1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-3-fluoro-1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]pyrrolidine-3-carboxamide is COCc1nsc(N2CCC(F)(C(=O)NC3CC3)C2)n1.
What is the InChIKey of N-cyclopropyl-3-fluoro-1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]pyrrolidine-3-carboxamide?
The InChIKey is NPZFIXUTGPFOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN4O2S/c1-19-6-9-15-11(20-16-9)17-5-4-12(13,7-17)10(18)14-8-2-3-8/h8H,2-7H2,1H3,(H,14,18).
What are the key properties of N-cyclopropyl-3-fluoro-1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]pyrrolidine-3-carboxamide?
N-cyclopropyl-3-fluoro-1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]pyrrolidine-3-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-fluoro-1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 171326598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).