(2-fluorophenyl)-[4-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]piperidin-1-yl]methanone

C19H18FN5OS — CID 133442278

IUPAC(2-fluorophenyl)-[4-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]piperidin-1-yl]methanone
SMILESO=C(c1ccccc1F)N1CCC(Nc2nnc(-c3ccccn3)s2)CC1
InChIInChI=1S/C19H18FN5OS/c20-15-6-2-1-5-14(15)18(26)25-11-8-13(9-12-25)22-19-24-23-17(27-19)16-7-3-4-10-21-16/h1-7,10,13H,8-9,11-12H2,(H,22,24)
InChIKeyNYGHUNANEYQUSQ-UHFFFAOYSA-N
MW383.45 g/mol
LogP3.46
Rot. Bonds4

About (2-fluorophenyl)-[4-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]piperidin-1-yl]methanone

(2-fluorophenyl)-[4-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]piperidin-1-yl]methanone (PubChem CID 133442278) has the molecular formula C19H18FN5OS and a molecular weight of 383.45 g/mol. Its IUPAC name is (2-fluorophenyl)-[4-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-fluorophenyl)-[4-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]piperidin-1-yl]methanone
PubChem CID133442278
Molecular FormulaC19H18FN5OS
Molecular Weight383.45 g/mol
Exact Mass383.12
IUPAC Name(2-fluorophenyl)-[4-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]piperidin-1-yl]methanone
SMILESO=C(c1ccccc1F)N1CCC(Nc2nnc(-c3ccccn3)s2)CC1
InChIInChI=1S/C19H18FN5OS/c20-15-6-2-1-5-14(15)18(26)25-11-8-13(9-12-25)22-19-24-23-17(27-19)16-7-3-4-10-21-16/h1-7,10,13H,8-9,11-12H2,(H,22,24)
InChIKeyNYGHUNANEYQUSQ-UHFFFAOYSA-N
XLogP3.46
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 55699853
(2-fluorophenyl)-[4-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]amino]piperidin-1-yl]methanone
CID 133316892
[4-(methylamino)piperidin-1-yl]-(2-pyridin-2-yl-1,3-thiazol-5-yl)methanone;dihydrochloride
CID 119562862
(3R)-3-hydroxy-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxamide
CID 75467005
2-fluoro-N-[1-(pyridine-2-carbonyl)piperidin-4-yl]benzamide
CID 110821143
(2-fluorophenyl)-[4-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperazin-1-yl]methanone
CID 50799893
4-phenyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
CID 51119005
1-[8-fluoro-5-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]-1,3,4,5-tetrahydro-2-benzazepin-2-yl]ethanone
CID 133475852
tert-butyl N-[1-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)carbamoyl]piperidin-4-yl]carbamate
CID 47716505
N-[1-(2-fluorobenzoyl)piperidin-4-yl]cyclohexanecarboxamide
CID 110820345
2-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]benzamide
CID 119944331
N-cycloheptyl-1-(2-fluorobenzoyl)piperidine-4-carboxamide
CID 17019024

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-[4-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]piperidin-1-yl]methanone?
The IUPAC name of (2-fluorophenyl)-[4-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]piperidin-1-yl]methanone (CID 133442278) is (2-fluorophenyl)-[4-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]piperidin-1-yl]methanone.
What is the SMILES notation for (2-fluorophenyl)-[4-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]piperidin-1-yl]methanone?
The canonical SMILES for (2-fluorophenyl)-[4-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]piperidin-1-yl]methanone is O=C(c1ccccc1F)N1CCC(Nc2nnc(-c3ccccn3)s2)CC1.
What is the InChIKey of (2-fluorophenyl)-[4-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]piperidin-1-yl]methanone?
The InChIKey is NYGHUNANEYQUSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5OS/c20-15-6-2-1-5-14(15)18(26)25-11-8-13(9-12-25)22-19-24-23-17(27-19)16-7-3-4-10-21-16/h1-7,10,13H,8-9,11-12H2,(H,22,24).
What are the key properties of (2-fluorophenyl)-[4-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]piperidin-1-yl]methanone?
(2-fluorophenyl)-[4-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]piperidin-1-yl]methanone has a molecular weight of 383.45 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-[4-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]piperidin-1-yl]methanone is sourced from PubChem (CID 133442278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).