N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide;hydrochloride

C15H18ClFN4OS — CID 119319932

IUPACN-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1nnc(Cc2ccccc2F)s1)C1CCCNC1
InChIInChI=1S/C15H17FN4OS.ClH/c16-12-6-2-1-4-10(12)8-13-19-20-15(22-13)18-14(21)11-5-3-7-17-9-11;/h1-2,4,6,11,17H,3,5,7-9H2,(H,18,20,21);1H
InChIKeyCMOJEUFWONEHMU-UHFFFAOYSA-N
MW356.85 g/mol
LogP2.63
Rot. Bonds4

About N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide;hydrochloride

N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide;hydrochloride (PubChem CID 119319932) has the molecular formula C15H18ClFN4OS and a molecular weight of 356.85 g/mol. Its IUPAC name is N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide;hydrochloride
PubChem CID119319932
Molecular FormulaC15H18ClFN4OS
Molecular Weight356.85 g/mol
Exact Mass356.09
IUPAC NameN-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1nnc(Cc2ccccc2F)s1)C1CCCNC1
InChIInChI=1S/C15H17FN4OS.ClH/c16-12-6-2-1-4-10(12)8-13-19-20-15(22-13)18-14(21)11-5-3-7-17-9-11;/h1-2,4,6,11,17H,3,5,7-9H2,(H,18,20,21);1H
InChIKeyCMOJEUFWONEHMU-UHFFFAOYSA-N
XLogP2.63
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.85
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 107641885
1-[[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122079760
N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119777299
N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(methylamino)acetamide;hydrochloride
CID 119777307
N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide;hydrochloride
CID 119301351
N-[4-[(2-fluorophenyl)methoxy]phenyl]piperidine-3-carboxamide
CID 119311313
N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-hydroxypiperidine-1-carboxamide
CID 111109533
N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide
CID 23819133
(2R)-2-amino-N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]propanamide;hydrochloride
CID 119319928
N-(2-ethylphenyl)piperidine-3-carboxamide;hydrochloride
CID 119265832
N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 119286796
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide;hydrochloride
CID 119279901

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide;hydrochloride (CID 119319932) is N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide;hydrochloride is Cl.O=C(Nc1nnc(Cc2ccccc2F)s1)C1CCCNC1.
What is the InChIKey of N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide;hydrochloride?
The InChIKey is CMOJEUFWONEHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4OS.ClH/c16-12-6-2-1-4-10(12)8-13-19-20-15(22-13)18-14(21)11-5-3-7-17-9-11;/h1-2,4,6,11,17H,3,5,7-9H2,(H,18,20,21);1H.
What are the key properties of N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide;hydrochloride?
N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide;hydrochloride has a molecular weight of 356.85 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119319932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).