2-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]-5-methyl-1,3,4-thiadiazole

C13H14FN3S — CID 97009430

IUPAC2-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]-5-methyl-1,3,4-thiadiazole
SMILESCc1nnc(N2CCC[C@H]2c2ccc(F)cc2)s1
InChIInChI=1S/C13H14FN3S/c1-9-15-16-13(18-9)17-8-2-3-12(17)10-4-6-11(14)7-5-10/h4-7,12H,2-3,8H2,1H3/t12-/m0/s1
InChIKeyLVLRHUJJGUSJMR-LBPRGKRZSA-N
MW263.34 g/mol
LogP3.33
Rot. Bonds2

About 2-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]-5-methyl-1,3,4-thiadiazole

2-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]-5-methyl-1,3,4-thiadiazole (PubChem CID 97009430) has the molecular formula C13H14FN3S and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]-5-methyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]-5-methyl-1,3,4-thiadiazole
PubChem CID97009430
Molecular FormulaC13H14FN3S
Molecular Weight263.34 g/mol
Exact Mass263.09
IUPAC Name2-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]-5-methyl-1,3,4-thiadiazole
SMILESCc1nnc(N2CCC[C@H]2c2ccc(F)cc2)s1
InChIInChI=1S/C13H14FN3S/c1-9-15-16-13(18-9)17-8-2-3-12(17)10-4-6-11(14)7-5-10/h4-7,12H,2-3,8H2,1H3/t12-/m0/s1
InChIKeyLVLRHUJJGUSJMR-LBPRGKRZSA-N
XLogP3.33
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-(4-fluorophenyl)-2-[(2R)-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-yl]ethanol
CID 125135571
1-(4-fluorophenyl)-2-(4-methylphenyl)pyrrolidine
CID 159405630
2-[(4-fluorophenyl)methyl]-5-[2-(3-fluorophenyl)pyrrolidin-1-yl]-1,3,4-thiadiazole
CID 133456578
6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-3-methylimidazo[1,2-a]pyridine
CID 171799333
3-(2,2-difluoroethyl)-2-[1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-yl]quinazolin-4-one
CID 126950199
2-[2-(4-fluorophenyl)piperidin-1-yl]pyrimidine
CID 154749859
(2S)-2-(4-fluorophenyl)-1-(2-methoxyethyl)pyrrolidine
CID 94616401
1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 50747022
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-5-methyl-1,3,4-thiadiazole
CID 133354542
2-[2-(3-fluorophenyl)pyrrolidin-1-yl]-5-pyridin-2-yl-1,3,4-thiadiazole
CID 119039301
2-[2-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]-5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazole
CID 133457507
2-(4-fluorophenyl)-1-propylpyrrolidine
CID 102544448

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]-5-methyl-1,3,4-thiadiazole?
The IUPAC name of 2-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]-5-methyl-1,3,4-thiadiazole (CID 97009430) is 2-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]-5-methyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]-5-methyl-1,3,4-thiadiazole?
The canonical SMILES for 2-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]-5-methyl-1,3,4-thiadiazole is Cc1nnc(N2CCC[C@H]2c2ccc(F)cc2)s1.
What is the InChIKey of 2-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]-5-methyl-1,3,4-thiadiazole?
The InChIKey is LVLRHUJJGUSJMR-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H14FN3S/c1-9-15-16-13(18-9)17-8-2-3-12(17)10-4-6-11(14)7-5-10/h4-7,12H,2-3,8H2,1H3/t12-/m0/s1.
What are the key properties of 2-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]-5-methyl-1,3,4-thiadiazole?
2-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]-5-methyl-1,3,4-thiadiazole has a molecular weight of 263.34 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]-5-methyl-1,3,4-thiadiazole is sourced from PubChem (CID 97009430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).