N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-3-(2-methylpropyl)-1,2,4-thiadiazol-5-amine

C15H20FN5S — CID 133491003

IUPACN-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-3-(2-methylpropyl)-1,2,4-thiadiazol-5-amine
SMILESCC(C)Cc1nsc(NC2CCN(c3ncccc3F)C2)n1
InChIInChI=1S/C15H20FN5S/c1-10(2)8-13-19-15(22-20-13)18-11-5-7-21(9-11)14-12(16)4-3-6-17-14/h3-4,6,10-11H,5,7-9H2,1-2H3,(H,18,19,20)
InChIKeyNQZVLHJRKBPZMW-UHFFFAOYSA-N
MW321.43 g/mol
LogP2.96
Rot. Bonds5

About N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-3-(2-methylpropyl)-1,2,4-thiadiazol-5-amine

N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-3-(2-methylpropyl)-1,2,4-thiadiazol-5-amine (PubChem CID 133491003) has the molecular formula C15H20FN5S and a molecular weight of 321.43 g/mol. Its IUPAC name is N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-3-(2-methylpropyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-3-(2-methylpropyl)-1,2,4-thiadiazol-5-amine
PubChem CID133491003
Molecular FormulaC15H20FN5S
Molecular Weight321.43 g/mol
Exact Mass321.14
IUPAC NameN-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-3-(2-methylpropyl)-1,2,4-thiadiazol-5-amine
SMILESCC(C)Cc1nsc(NC2CCN(c3ncccc3F)C2)n1
InChIInChI=1S/C15H20FN5S/c1-10(2)8-13-19-15(22-20-13)18-11-5-7-21(9-11)14-12(16)4-3-6-17-14/h3-4,6,10-11H,5,7-9H2,1-2H3,(H,18,19,20)
InChIKeyNQZVLHJRKBPZMW-UHFFFAOYSA-N
XLogP2.96
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-tert-butyl-N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-1,2,4-thiadiazol-5-amine
CID 133494519
1-(2,6-difluorophenyl)-3-[[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]amino]pyrrolidin-2-one
CID 133491045
(3S)-1-(3-fluoro-2-pyridinyl)-N-[(1S)-1-quinolin-2-ylethyl]pyrrolidin-3-amine
CID 97323599
(3S)-1-(3-fluoro-2-pyridinyl)-N-[(1R)-1-quinolin-2-ylethyl]pyrrolidin-3-amine
CID 97323600
N-[(3S)-1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]pentane-1-sulfonamide
CID 97306329
5-bromo-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-4-methylpyridin-2-amine
CID 133404187
2-tert-butyl-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-6-(methoxymethyl)pyrimidin-4-amine
CID 133412333
(3S)-N-[(1S)-1-[(1R,2R)-2-(5-chlorothiophen-2-yl)cyclopropyl]ethyl]-1-(3-fluoro-2-pyridinyl)pyrrolidin-3-amine
CID 100732502
3-(4-fluorophenyl)-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-1,2,4-oxadiazol-5-amine
CID 167898363
2-(3-bromopyrrolidin-1-yl)-3-fluoropyridine
CID 80666888
1-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-3-[(1S)-2-hydroxy-1-phenylethyl]urea
CID 75448750
(3R)-1-(3-fluoro-2-pyridinyl)-N-[(3S)-2,2,5,5-tetramethyloxolan-3-yl]pyrrolidin-3-amine
CID 97233255

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-3-(2-methylpropyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-3-(2-methylpropyl)-1,2,4-thiadiazol-5-amine (CID 133491003) is N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-3-(2-methylpropyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-3-(2-methylpropyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-3-(2-methylpropyl)-1,2,4-thiadiazol-5-amine is CC(C)Cc1nsc(NC2CCN(c3ncccc3F)C2)n1.
What is the InChIKey of N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-3-(2-methylpropyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is NQZVLHJRKBPZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN5S/c1-10(2)8-13-19-15(22-20-13)18-11-5-7-21(9-11)14-12(16)4-3-6-17-14/h3-4,6,10-11H,5,7-9H2,1-2H3,(H,18,19,20).
What are the key properties of N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-3-(2-methylpropyl)-1,2,4-thiadiazol-5-amine?
N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-3-(2-methylpropyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 321.43 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-3-(2-methylpropyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 133491003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).