N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide

C13H16N6OS — CID 653812

IUPACN-(5-methyl-1,3,4-thiadiazol-2-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
SMILESCc1nnc(NC(=O)C2CCCN(c3ncccn3)C2)s1
InChIInChI=1S/C13H16N6OS/c1-9-17-18-13(21-9)16-11(20)10-4-2-7-19(8-10)12-14-5-3-6-15-12/h3,5-6,10H,2,4,7-8H2,1H3,(H,16,18,20)
InChIKeyZJCKGUNDILXCLP-UHFFFAOYSA-N
MW304.38 g/mol
LogP1.49
Rot. Bonds3

About N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide

N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide (PubChem CID 653812) has the molecular formula C13H16N6OS and a molecular weight of 304.38 g/mol. Its IUPAC name is N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
PubChem CID653812
Molecular FormulaC13H16N6OS
Molecular Weight304.38 g/mol
Exact Mass304.11
IUPAC NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
SMILESCc1nnc(NC(=O)C2CCCN(c3ncccn3)C2)s1
InChIInChI=1S/C13H16N6OS/c1-9-17-18-13(21-9)16-11(20)10-4-2-7-19(8-10)12-14-5-3-6-15-12/h3,5-6,10H,2,4,7-8H2,1H3,(H,16,18,20)
InChIKeyZJCKGUNDILXCLP-UHFFFAOYSA-N
XLogP1.49
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide (CID 653812) is N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide is Cc1nnc(NC(=O)C2CCCN(c3ncccn3)C2)s1.
What is the InChIKey of N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The InChIKey is ZJCKGUNDILXCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6OS/c1-9-17-18-13(21-9)16-11(20)10-4-2-7-19(8-10)12-14-5-3-6-15-12/h3,5-6,10H,2,4,7-8H2,1H3,(H,16,18,20).
What are the key properties of N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide?
N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide has a molecular weight of 304.38 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 653812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).