N-[(3R)-1-(4-fluoro-2-methylphenyl)piperidin-3-yl]thiadiazole-5-carboxamide

C15H17FN4OS — CID 124565601

IUPACN-[(3R)-1-(4-fluoro-2-methylphenyl)piperidin-3-yl]thiadiazole-5-carboxamide
SMILESCc1cc(F)ccc1N1CCC[C@@H](NC(=O)c2cnns2)C1
InChIInChI=1S/C15H17FN4OS/c1-10-7-11(16)4-5-13(10)20-6-2-3-12(9-20)18-15(21)14-8-17-19-22-14/h4-5,7-8,12H,2-3,6,9H2,1H3,(H,18,21)/t12-/m1/s1
InChIKeyLWYBUSQIUQUMRT-GFCCVEGCSA-N
MW320.39 g/mol
LogP2.38
Rot. Bonds3

About N-[(3R)-1-(4-fluoro-2-methylphenyl)piperidin-3-yl]thiadiazole-5-carboxamide

N-[(3R)-1-(4-fluoro-2-methylphenyl)piperidin-3-yl]thiadiazole-5-carboxamide (PubChem CID 124565601) has the molecular formula C15H17FN4OS and a molecular weight of 320.39 g/mol. Its IUPAC name is N-[(3R)-1-(4-fluoro-2-methylphenyl)piperidin-3-yl]thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-(4-fluoro-2-methylphenyl)piperidin-3-yl]thiadiazole-5-carboxamide
PubChem CID124565601
Molecular FormulaC15H17FN4OS
Molecular Weight320.39 g/mol
Exact Mass320.11
IUPAC NameN-[(3R)-1-(4-fluoro-2-methylphenyl)piperidin-3-yl]thiadiazole-5-carboxamide
SMILESCc1cc(F)ccc1N1CCC[C@@H](NC(=O)c2cnns2)C1
InChIInChI=1S/C15H17FN4OS/c1-10-7-11(16)4-5-13(10)20-6-2-3-12(9-20)18-15(21)14-8-17-19-22-14/h4-5,7-8,12H,2-3,6,9H2,1H3,(H,18,21)/t12-/m1/s1
InChIKeyLWYBUSQIUQUMRT-GFCCVEGCSA-N
XLogP2.38
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-2-methylpropanamide;dihydrochloride
CID 119883913
N-[(3R)-1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide
CID 95629403
4-cyclopropyl-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-1,3-thiazole-5-carboxamide
CID 126784193
2-amino-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]acetamide
CID 119883950
(2R)-2-amino-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]propanamide
CID 119883938
2-amino-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120670287
2-amino-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-2-phenylpropanamide
CID 120596808
(2S,4S)-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120636999
1-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-3-(2-methyl-1,2,4-triazol-3-yl)urea
CID 136520325
N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119883922
1-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-3-(5-hydroxypentan-2-yl)urea
CID 71921543
1-[(3S)-1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-3-[(2S)-4-hydroxy-2-methylbutyl]urea
CID 95936376

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(4-fluoro-2-methylphenyl)piperidin-3-yl]thiadiazole-5-carboxamide?
The IUPAC name of N-[(3R)-1-(4-fluoro-2-methylphenyl)piperidin-3-yl]thiadiazole-5-carboxamide (CID 124565601) is N-[(3R)-1-(4-fluoro-2-methylphenyl)piperidin-3-yl]thiadiazole-5-carboxamide.
What is the SMILES notation for N-[(3R)-1-(4-fluoro-2-methylphenyl)piperidin-3-yl]thiadiazole-5-carboxamide?
The canonical SMILES for N-[(3R)-1-(4-fluoro-2-methylphenyl)piperidin-3-yl]thiadiazole-5-carboxamide is Cc1cc(F)ccc1N1CCC[C@@H](NC(=O)c2cnns2)C1.
What is the InChIKey of N-[(3R)-1-(4-fluoro-2-methylphenyl)piperidin-3-yl]thiadiazole-5-carboxamide?
The InChIKey is LWYBUSQIUQUMRT-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H17FN4OS/c1-10-7-11(16)4-5-13(10)20-6-2-3-12(9-20)18-15(21)14-8-17-19-22-14/h4-5,7-8,12H,2-3,6,9H2,1H3,(H,18,21)/t12-/m1/s1.
What are the key properties of N-[(3R)-1-(4-fluoro-2-methylphenyl)piperidin-3-yl]thiadiazole-5-carboxamide?
N-[(3R)-1-(4-fluoro-2-methylphenyl)piperidin-3-yl]thiadiazole-5-carboxamide has a molecular weight of 320.39 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-(4-fluoro-2-methylphenyl)piperidin-3-yl]thiadiazole-5-carboxamide is sourced from PubChem (CID 124565601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).