N-[[4,4-difluoro-2-methyl-1-(thiadiazole-4-carbonyl)pyrrolidin-2-yl]methyl]spiro[2.2]pentane-2-carboxamide

C15H18F2N4O2S — CID 154856192

IUPACN-[[4,4-difluoro-2-methyl-1-(thiadiazole-4-carbonyl)pyrrolidin-2-yl]methyl]spiro[2.2]pentane-2-carboxamide
SMILESCC1(CNC(=O)C2CC23CC3)CC(F)(F)CN1C(=O)c1csnn1
InChIInChI=1S/C15H18F2N4O2S/c1-13(7-18-11(22)9-4-14(9)2-3-14)6-15(16,17)8-21(13)12(23)10-5-24-20-19-10/h5,9H,2-4,6-8H2,1H3,(H,18,22)
InChIKeyCFNQAGBBQOHWPE-UHFFFAOYSA-N
MW356.40 g/mol
LogP1.69
Rot. Bonds4

About N-[[4,4-difluoro-2-methyl-1-(thiadiazole-4-carbonyl)pyrrolidin-2-yl]methyl]spiro[2.2]pentane-2-carboxamide

N-[[4,4-difluoro-2-methyl-1-(thiadiazole-4-carbonyl)pyrrolidin-2-yl]methyl]spiro[2.2]pentane-2-carboxamide (PubChem CID 154856192) has the molecular formula C15H18F2N4O2S and a molecular weight of 356.40 g/mol. Its IUPAC name is N-[[4,4-difluoro-2-methyl-1-(thiadiazole-4-carbonyl)pyrrolidin-2-yl]methyl]spiro[2.2]pentane-2-carboxamide.

Molecular Properties

Compound NameN-[[4,4-difluoro-2-methyl-1-(thiadiazole-4-carbonyl)pyrrolidin-2-yl]methyl]spiro[2.2]pentane-2-carboxamide
PubChem CID154856192
Molecular FormulaC15H18F2N4O2S
Molecular Weight356.40 g/mol
Exact Mass356.11
IUPAC NameN-[[4,4-difluoro-2-methyl-1-(thiadiazole-4-carbonyl)pyrrolidin-2-yl]methyl]spiro[2.2]pentane-2-carboxamide
SMILESCC1(CNC(=O)C2CC23CC3)CC(F)(F)CN1C(=O)c1csnn1
InChIInChI=1S/C15H18F2N4O2S/c1-13(7-18-11(22)9-4-14(9)2-3-14)6-15(16,17)8-21(13)12(23)10-5-24-20-19-10/h5,9H,2-4,6-8H2,1H3,(H,18,22)
InChIKeyCFNQAGBBQOHWPE-UHFFFAOYSA-N
XLogP1.69
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4,4-difluoro-2-methyl-1-(thiadiazole-4-carbonyl)pyrrolidin-2-yl]methyl]spiro[2.2]pentane-2-carboxamide?
The IUPAC name of N-[[4,4-difluoro-2-methyl-1-(thiadiazole-4-carbonyl)pyrrolidin-2-yl]methyl]spiro[2.2]pentane-2-carboxamide (CID 154856192) is N-[[4,4-difluoro-2-methyl-1-(thiadiazole-4-carbonyl)pyrrolidin-2-yl]methyl]spiro[2.2]pentane-2-carboxamide.
What is the SMILES notation for N-[[4,4-difluoro-2-methyl-1-(thiadiazole-4-carbonyl)pyrrolidin-2-yl]methyl]spiro[2.2]pentane-2-carboxamide?
The canonical SMILES for N-[[4,4-difluoro-2-methyl-1-(thiadiazole-4-carbonyl)pyrrolidin-2-yl]methyl]spiro[2.2]pentane-2-carboxamide is CC1(CNC(=O)C2CC23CC3)CC(F)(F)CN1C(=O)c1csnn1.
What is the InChIKey of N-[[4,4-difluoro-2-methyl-1-(thiadiazole-4-carbonyl)pyrrolidin-2-yl]methyl]spiro[2.2]pentane-2-carboxamide?
The InChIKey is CFNQAGBBQOHWPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N4O2S/c1-13(7-18-11(22)9-4-14(9)2-3-14)6-15(16,17)8-21(13)12(23)10-5-24-20-19-10/h5,9H,2-4,6-8H2,1H3,(H,18,22).
What are the key properties of N-[[4,4-difluoro-2-methyl-1-(thiadiazole-4-carbonyl)pyrrolidin-2-yl]methyl]spiro[2.2]pentane-2-carboxamide?
N-[[4,4-difluoro-2-methyl-1-(thiadiazole-4-carbonyl)pyrrolidin-2-yl]methyl]spiro[2.2]pentane-2-carboxamide has a molecular weight of 356.40 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4,4-difluoro-2-methyl-1-(thiadiazole-4-carbonyl)pyrrolidin-2-yl]methyl]spiro[2.2]pentane-2-carboxamide is sourced from PubChem (CID 154856192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).