N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide

C15H20N6OS — CID 645677

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide
SMILESCCc1nnc(NC(=O)C2CCN(c3nccc(C)n3)CC2)s1
InChIInChI=1S/C15H20N6OS/c1-3-12-19-20-15(23-12)18-13(22)11-5-8-21(9-6-11)14-16-7-4-10(2)17-14/h4,7,11H,3,5-6,8-9H2,1-2H3,(H,18,20,22)
InChIKeyNIXCWEPEYWNRAG-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.05
Rot. Bonds4

About N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide (PubChem CID 645677) has the molecular formula C15H20N6OS and a molecular weight of 332.43 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide
PubChem CID645677
Molecular FormulaC15H20N6OS
Molecular Weight332.43 g/mol
Exact Mass332.14
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide
SMILESCCc1nnc(NC(=O)C2CCN(c3nccc(C)n3)CC2)s1
InChIInChI=1S/C15H20N6OS/c1-3-12-19-20-15(23-12)18-13(22)11-5-8-21(9-6-11)14-16-7-4-10(2)17-14/h4,7,11H,3,5-6,8-9H2,1-2H3,(H,18,20,22)
InChIKeyNIXCWEPEYWNRAG-UHFFFAOYSA-N
XLogP2.05
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide (CID 645677) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide is CCc1nnc(NC(=O)C2CCN(c3nccc(C)n3)CC2)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide?
The InChIKey is NIXCWEPEYWNRAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6OS/c1-3-12-19-20-15(23-12)18-13(22)11-5-8-21(9-6-11)14-16-7-4-10(2)17-14/h4,7,11H,3,5-6,8-9H2,1-2H3,(H,18,20,22).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide has a molecular weight of 332.43 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 645677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).