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

C11H15FN4OS — CID 171326482

IUPACN-cyclopropyl-3-fluoro-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxamide
SMILESCc1nsc(N2CCC(F)(C(=O)NC3CC3)C2)n1
InChIInChI=1S/C11H15FN4OS/c1-7-13-10(18-15-7)16-5-4-11(12,6-16)9(17)14-8-2-3-8/h8H,2-6H2,1H3,(H,14,17)
InChIKeyWHNFGMIYSWJIMG-UHFFFAOYSA-N
MW270.33 g/mol
LogP1.04
Rot. Bonds3

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

N-cyclopropyl-3-fluoro-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxamide (PubChem CID 171326482) has the molecular formula C11H15FN4OS and a molecular weight of 270.33 g/mol. Its IUPAC name is N-cyclopropyl-3-fluoro-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-3-fluoro-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxamide
PubChem CID171326482
Molecular FormulaC11H15FN4OS
Molecular Weight270.33 g/mol
Exact Mass270.10
IUPAC NameN-cyclopropyl-3-fluoro-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxamide
SMILESCc1nsc(N2CCC(F)(C(=O)NC3CC3)C2)n1
InChIInChI=1S/C11H15FN4OS/c1-7-13-10(18-15-7)16-5-4-11(12,6-16)9(17)14-8-2-3-8/h8H,2-6H2,1H3,(H,14,17)
InChIKeyWHNFGMIYSWJIMG-UHFFFAOYSA-N
XLogP1.04
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-Cyclopropyl-4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one
CID 71924181
1-Tert-butyl-4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one
CID 71924183
1-Tert-butyl-4-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one
CID 71976849
1-Tert-butyl-4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one
CID 75376042
1-Cyclopropyl-4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one
CID 71924182
1-Methyl-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one
CID 91643484
1-[(3S)-3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-1-yl]ethanone
CID 97092985
(4S)-4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one
CID 164633149
4-[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]pyrrolidin-2-one
CID 106191970
N-cyclopropyl-4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butanamide
CID 107305040
1-Pyrrolidin-1-yl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-one
CID 107305116
N-(3-methyl-1,2,4-thiadiazol-5-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 113512959

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-fluoro-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxamide?
The IUPAC name of N-cyclopropyl-3-fluoro-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxamide (CID 171326482) is N-cyclopropyl-3-fluoro-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-3-fluoro-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-3-fluoro-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxamide is Cc1nsc(N2CCC(F)(C(=O)NC3CC3)C2)n1.
What is the InChIKey of N-cyclopropyl-3-fluoro-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxamide?
The InChIKey is WHNFGMIYSWJIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN4OS/c1-7-13-10(18-15-7)16-5-4-11(12,6-16)9(17)14-8-2-3-8/h8H,2-6H2,1H3,(H,14,17).
What are the key properties of N-cyclopropyl-3-fluoro-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxamide?
N-cyclopropyl-3-fluoro-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxamide has a molecular weight of 270.33 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-fluoro-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 171326482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).