5-(2,6-difluorophenyl)-N-(1-methylpiperidin-4-yl)-1,3,4-thiadiazole-2-carboxamide

C15H16F2N4OS — CID 136548160

IUPAC5-(2,6-difluorophenyl)-N-(1-methylpiperidin-4-yl)-1,3,4-thiadiazole-2-carboxamide
SMILESCN1CCC(NC(=O)c2nnc(-c3c(F)cccc3F)s2)CC1
InChIInChI=1S/C15H16F2N4OS/c1-21-7-5-9(6-8-21)18-13(22)15-20-19-14(23-15)12-10(16)3-2-4-11(12)17/h2-4,9H,5-8H2,1H3,(H,18,22)
InChIKeyMGWLXIUVCHRNKI-UHFFFAOYSA-N
MW338.38 g/mol
LogP2.31
Rot. Bonds3

About 5-(2,6-difluorophenyl)-N-(1-methylpiperidin-4-yl)-1,3,4-thiadiazole-2-carboxamide

5-(2,6-difluorophenyl)-N-(1-methylpiperidin-4-yl)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 136548160) has the molecular formula C15H16F2N4OS and a molecular weight of 338.38 g/mol. Its IUPAC name is 5-(2,6-difluorophenyl)-N-(1-methylpiperidin-4-yl)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-(2,6-difluorophenyl)-N-(1-methylpiperidin-4-yl)-1,3,4-thiadiazole-2-carboxamide
PubChem CID136548160
Molecular FormulaC15H16F2N4OS
Molecular Weight338.38 g/mol
Exact Mass338.10
IUPAC Name5-(2,6-difluorophenyl)-N-(1-methylpiperidin-4-yl)-1,3,4-thiadiazole-2-carboxamide
SMILESCN1CCC(NC(=O)c2nnc(-c3c(F)cccc3F)s2)CC1
InChIInChI=1S/C15H16F2N4OS/c1-21-7-5-9(6-8-21)18-13(22)15-20-19-14(23-15)12-10(16)3-2-4-11(12)17/h2-4,9H,5-8H2,1H3,(H,18,22)
InChIKeyMGWLXIUVCHRNKI-UHFFFAOYSA-N
XLogP2.31
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2,6-difluorophenyl)-N-(1-methylpiperidin-4-yl)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-(2,6-difluorophenyl)-N-(1-methylpiperidin-4-yl)-1,3,4-thiadiazole-2-carboxamide (CID 136548160) is 5-(2,6-difluorophenyl)-N-(1-methylpiperidin-4-yl)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-(2,6-difluorophenyl)-N-(1-methylpiperidin-4-yl)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-(2,6-difluorophenyl)-N-(1-methylpiperidin-4-yl)-1,3,4-thiadiazole-2-carboxamide is CN1CCC(NC(=O)c2nnc(-c3c(F)cccc3F)s2)CC1.
What is the InChIKey of 5-(2,6-difluorophenyl)-N-(1-methylpiperidin-4-yl)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is MGWLXIUVCHRNKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N4OS/c1-21-7-5-9(6-8-21)18-13(22)15-20-19-14(23-15)12-10(16)3-2-4-11(12)17/h2-4,9H,5-8H2,1H3,(H,18,22).
What are the key properties of 5-(2,6-difluorophenyl)-N-(1-methylpiperidin-4-yl)-1,3,4-thiadiazole-2-carboxamide?
5-(2,6-difluorophenyl)-N-(1-methylpiperidin-4-yl)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 338.38 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-difluorophenyl)-N-(1-methylpiperidin-4-yl)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 136548160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).