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

C15H17FN4OS — CID 75518774

IUPACN-[1-(2-fluoro-5-methylphenyl)piperidin-4-yl]thiadiazole-5-carboxamide
SMILESCc1ccc(F)c(N2CCC(NC(=O)c3cnns3)CC2)c1
InChIInChI=1S/C15H17FN4OS/c1-10-2-3-12(16)13(8-10)20-6-4-11(5-7-20)18-15(21)14-9-17-19-22-14/h2-3,8-9,11H,4-7H2,1H3,(H,18,21)
InChIKeyNTGBCEOFWHBTJT-UHFFFAOYSA-N
MW320.39 g/mol
LogP2.38
Rot. Bonds3

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

N-[1-(2-fluoro-5-methylphenyl)piperidin-4-yl]thiadiazole-5-carboxamide (PubChem CID 75518774) has the molecular formula C15H17FN4OS and a molecular weight of 320.39 g/mol. Its IUPAC name is N-[1-(2-fluoro-5-methylphenyl)piperidin-4-yl]thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(2-fluoro-5-methylphenyl)piperidin-4-yl]thiadiazole-5-carboxamide
PubChem CID75518774
Molecular FormulaC15H17FN4OS
Molecular Weight320.39 g/mol
Exact Mass320.11
IUPAC NameN-[1-(2-fluoro-5-methylphenyl)piperidin-4-yl]thiadiazole-5-carboxamide
SMILESCc1ccc(F)c(N2CCC(NC(=O)c3cnns3)CC2)c1
InChIInChI=1S/C15H17FN4OS/c1-10-2-3-12(16)13(8-10)20-6-4-11(5-7-20)18-15(21)14-9-17-19-22-14/h2-3,8-9,11H,4-7H2,1H3,(H,18,21)
InChIKeyNTGBCEOFWHBTJT-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluoro-5-methylphenyl)piperidin-4-yl]thiadiazole-5-carboxamide?
The IUPAC name of N-[1-(2-fluoro-5-methylphenyl)piperidin-4-yl]thiadiazole-5-carboxamide (CID 75518774) is N-[1-(2-fluoro-5-methylphenyl)piperidin-4-yl]thiadiazole-5-carboxamide.
What is the SMILES notation for N-[1-(2-fluoro-5-methylphenyl)piperidin-4-yl]thiadiazole-5-carboxamide?
The canonical SMILES for N-[1-(2-fluoro-5-methylphenyl)piperidin-4-yl]thiadiazole-5-carboxamide is Cc1ccc(F)c(N2CCC(NC(=O)c3cnns3)CC2)c1.
What is the InChIKey of N-[1-(2-fluoro-5-methylphenyl)piperidin-4-yl]thiadiazole-5-carboxamide?
The InChIKey is NTGBCEOFWHBTJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4OS/c1-10-2-3-12(16)13(8-10)20-6-4-11(5-7-20)18-15(21)14-9-17-19-22-14/h2-3,8-9,11H,4-7H2,1H3,(H,18,21).
What are the key properties of N-[1-(2-fluoro-5-methylphenyl)piperidin-4-yl]thiadiazole-5-carboxamide?
N-[1-(2-fluoro-5-methylphenyl)piperidin-4-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-[1-(2-fluoro-5-methylphenyl)piperidin-4-yl]thiadiazole-5-carboxamide is sourced from PubChem (CID 75518774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).