1-(5-cyano-2-pyridinyl)-N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide

C23H24N6OS — CID 16588305

IUPAC1-(5-cyano-2-pyridinyl)-N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
SMILESCC(C)c1ccc(-c2nnc(NC(=O)C3CCN(c4ccc(C#N)cn4)CC3)s2)cc1
InChIInChI=1S/C23H24N6OS/c1-15(2)17-4-6-19(7-5-17)22-27-28-23(31-22)26-21(30)18-9-11-29(12-10-18)20-8-3-16(13-24)14-25-20/h3-8,14-15,18H,9-12H2,1-2H3,(H,26,28,30)
InChIKeySMUGTYQJYFKDRP-UHFFFAOYSA-N
MW432.55 g/mol
LogP4.45
Rot. Bonds5

About 1-(5-cyano-2-pyridinyl)-N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide

1-(5-cyano-2-pyridinyl)-N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide (PubChem CID 16588305) has the molecular formula C23H24N6OS and a molecular weight of 432.55 g/mol. Its IUPAC name is 1-(5-cyano-2-pyridinyl)-N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-cyano-2-pyridinyl)-N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
PubChem CID16588305
Molecular FormulaC23H24N6OS
Molecular Weight432.55 g/mol
Exact Mass432.17
IUPAC Name1-(5-cyano-2-pyridinyl)-N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
SMILESCC(C)c1ccc(-c2nnc(NC(=O)C3CCN(c4ccc(C#N)cn4)CC3)s2)cc1
InChIInChI=1S/C23H24N6OS/c1-15(2)17-4-6-19(7-5-17)22-27-28-23(31-22)26-21(30)18-9-11-29(12-10-18)20-8-3-16(13-24)14-25-20/h3-8,14-15,18H,9-12H2,1-2H3,(H,26,28,30)
InChIKeySMUGTYQJYFKDRP-UHFFFAOYSA-N
XLogP4.45
TPSA94.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(5-cyano-2-pyridinyl)-N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-(5-cyano-2-pyridinyl)-N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide (CID 16588305) is 1-(5-cyano-2-pyridinyl)-N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(5-cyano-2-pyridinyl)-N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-(5-cyano-2-pyridinyl)-N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide is CC(C)c1ccc(-c2nnc(NC(=O)C3CCN(c4ccc(C#N)cn4)CC3)s2)cc1.
What is the InChIKey of 1-(5-cyano-2-pyridinyl)-N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide?
The InChIKey is SMUGTYQJYFKDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6OS/c1-15(2)17-4-6-19(7-5-17)22-27-28-23(31-22)26-21(30)18-9-11-29(12-10-18)20-8-3-16(13-24)14-25-20/h3-8,14-15,18H,9-12H2,1-2H3,(H,26,28,30).
What are the key properties of 1-(5-cyano-2-pyridinyl)-N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide?
1-(5-cyano-2-pyridinyl)-N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide has a molecular weight of 432.55 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyano-2-pyridinyl)-N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 16588305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).