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

C19H17F2N3S — CID 133456578

IUPAC2-[(4-fluorophenyl)methyl]-5-[2-(3-fluorophenyl)pyrrolidin-1-yl]-1,3,4-thiadiazole
SMILESFc1ccc(Cc2nnc(N3CCCC3c3cccc(F)c3)s2)cc1
InChIInChI=1S/C19H17F2N3S/c20-15-8-6-13(7-9-15)11-18-22-23-19(25-18)24-10-2-5-17(24)14-3-1-4-16(21)12-14/h1,3-4,6-9,12,17H,2,5,10-11H2
InChIKeyWJVQJWSXKSCQBL-UHFFFAOYSA-N
MW357.43 g/mol
LogP4.75
Rot. Bonds4

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

2-[(4-fluorophenyl)methyl]-5-[2-(3-fluorophenyl)pyrrolidin-1-yl]-1,3,4-thiadiazole (PubChem CID 133456578) has the molecular formula C19H17F2N3S and a molecular weight of 357.43 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-5-[2-(3-fluorophenyl)pyrrolidin-1-yl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-5-[2-(3-fluorophenyl)pyrrolidin-1-yl]-1,3,4-thiadiazole
PubChem CID133456578
Molecular FormulaC19H17F2N3S
Molecular Weight357.43 g/mol
Exact Mass357.11
IUPAC Name2-[(4-fluorophenyl)methyl]-5-[2-(3-fluorophenyl)pyrrolidin-1-yl]-1,3,4-thiadiazole
SMILESFc1ccc(Cc2nnc(N3CCCC3c3cccc(F)c3)s2)cc1
InChIInChI=1S/C19H17F2N3S/c20-15-8-6-13(7-9-15)11-18-22-23-19(25-18)24-10-2-5-17(24)14-3-1-4-16(21)12-14/h1,3-4,6-9,12,17H,2,5,10-11H2
InChIKeyWJVQJWSXKSCQBL-UHFFFAOYSA-N
XLogP4.75
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]-5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazole
CID 133457507
2-[2-(3-fluorophenyl)pyrrolidin-1-yl]-5-pyridin-2-yl-1,3,4-thiadiazole
CID 119039301
2-[(4-fluorophenyl)methyl]-5-(4-methylazepan-1-yl)-1,3,4-thiadiazole
CID 133456989
2-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]-5-methyl-1,3,4-thiadiazole
CID 97009430
2-[3-(azepan-1-yl)piperidin-1-yl]-5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazole
CID 133457868
2-benzyl-5-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-1,3,4-thiadiazole
CID 133452104
N-[1-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidin-4-yl]-N-methylacetamide
CID 133456861
[1-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 133466002
2-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrimidin-5-amine
CID 146380893
2-[[2-(3-fluorophenyl)piperidin-1-yl]methyl]-5-methyl-1,3,4-thiadiazole
CID 56901808
6-[2-(3-fluorophenyl)pyrrolidin-1-yl]pyridin-3-amine
CID 146388088
6-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyridin-3-amine
CID 146380890

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-5-[2-(3-fluorophenyl)pyrrolidin-1-yl]-1,3,4-thiadiazole?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-5-[2-(3-fluorophenyl)pyrrolidin-1-yl]-1,3,4-thiadiazole (CID 133456578) is 2-[(4-fluorophenyl)methyl]-5-[2-(3-fluorophenyl)pyrrolidin-1-yl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-5-[2-(3-fluorophenyl)pyrrolidin-1-yl]-1,3,4-thiadiazole?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-5-[2-(3-fluorophenyl)pyrrolidin-1-yl]-1,3,4-thiadiazole is Fc1ccc(Cc2nnc(N3CCCC3c3cccc(F)c3)s2)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-5-[2-(3-fluorophenyl)pyrrolidin-1-yl]-1,3,4-thiadiazole?
The InChIKey is WJVQJWSXKSCQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3S/c20-15-8-6-13(7-9-15)11-18-22-23-19(25-18)24-10-2-5-17(24)14-3-1-4-16(21)12-14/h1,3-4,6-9,12,17H,2,5,10-11H2.
What are the key properties of 2-[(4-fluorophenyl)methyl]-5-[2-(3-fluorophenyl)pyrrolidin-1-yl]-1,3,4-thiadiazole?
2-[(4-fluorophenyl)methyl]-5-[2-(3-fluorophenyl)pyrrolidin-1-yl]-1,3,4-thiadiazole has a molecular weight of 357.43 g/mol, XLogP of 4.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-5-[2-(3-fluorophenyl)pyrrolidin-1-yl]-1,3,4-thiadiazole is sourced from PubChem (CID 133456578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).