6-[(2R,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide

C18H16FN5O2S — CID 97327728

IUPAC6-[(2R,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
SMILESO=C(Nc1nncs1)c1ccc(N2C[C@@H](O)C[C@@H]2c2ccc(F)cc2)nc1
InChIInChI=1S/C18H16FN5O2S/c19-13-4-1-11(2-5-13)15-7-14(25)9-24(15)16-6-3-12(8-20-16)17(26)22-18-23-21-10-27-18/h1-6,8,10,14-15,25H,7,9H2,(H,22,23,26)/t14-,15+/m0/s1
InChIKeyFINKISMPWLPDKZ-LSDHHAIUSA-N
MW385.42 g/mol
LogP2.64
Rot. Bonds4

About 6-[(2R,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide

6-[(2R,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (PubChem CID 97327728) has the molecular formula C18H16FN5O2S and a molecular weight of 385.42 g/mol. Its IUPAC name is 6-[(2R,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(2R,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
PubChem CID97327728
Molecular FormulaC18H16FN5O2S
Molecular Weight385.42 g/mol
Exact Mass385.10
IUPAC Name6-[(2R,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
SMILESO=C(Nc1nncs1)c1ccc(N2C[C@@H](O)C[C@@H]2c2ccc(F)cc2)nc1
InChIInChI=1S/C18H16FN5O2S/c19-13-4-1-11(2-5-13)15-7-14(25)9-24(15)16-6-3-12(8-20-16)17(26)22-18-23-21-10-27-18/h1-6,8,10,14-15,25H,7,9H2,(H,22,23,26)/t14-,15+/m0/s1
InChIKeyFINKISMPWLPDKZ-LSDHHAIUSA-N
XLogP2.64
TPSA91.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-[(2R,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(2,3-dimethylpyrrolidin-1-yl)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133357725
6-[(2R,4R)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-ethylpyridine-3-carboxamide
CID 129350510
6-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133333545
6-[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133339748
6-(4-tert-butylazepan-1-yl)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133339739
6-(3-methoxypiperidin-1-yl)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133329253
6-[(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-N,N-dimethylpyridine-3-carboxamide
CID 129480751
(3R,5S)-5-(4-fluorophenyl)-1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-ol
CID 100661594
(3R,5S)-5-(4-fluorophenyl)-1-(2-phenylpyrimidin-4-yl)pyrrolidin-3-ol
CID 98853341
6-(4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133364406
N-ethyl-6-[(2R,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-phenylpyridine-3-sulfonamide
CID 97244837
6-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133329677

Frequently Asked Questions

What is the IUPAC name of 6-[(2R,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The IUPAC name of 6-[(2R,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (CID 97327728) is 6-[(2R,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[(2R,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-[(2R,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is O=C(Nc1nncs1)c1ccc(N2C[C@@H](O)C[C@@H]2c2ccc(F)cc2)nc1.
What is the InChIKey of 6-[(2R,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The InChIKey is FINKISMPWLPDKZ-LSDHHAIUSA-N. The full InChI is InChI=1S/C18H16FN5O2S/c19-13-4-1-11(2-5-13)15-7-14(25)9-24(15)16-6-3-12(8-20-16)17(26)22-18-23-21-10-27-18/h1-6,8,10,14-15,25H,7,9H2,(H,22,23,26)/t14-,15+/m0/s1.
What are the key properties of 6-[(2R,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
6-[(2R,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide has a molecular weight of 385.42 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 97327728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).