4-methyl-N-(2-piperidin-1-ylpyrimidin-5-yl)thiadiazole-5-carboxamide

C13H16N6OS — CID 122298559

IUPAC4-methyl-N-(2-piperidin-1-ylpyrimidin-5-yl)thiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)Nc1cnc(N2CCCCC2)nc1
InChIInChI=1S/C13H16N6OS/c1-9-11(21-18-17-9)12(20)16-10-7-14-13(15-8-10)19-5-3-2-4-6-19/h7-8H,2-6H2,1H3,(H,16,20)
InChIKeyLDOAMMICCPPCJO-UHFFFAOYSA-N
MW304.38 g/mol
LogP1.88
Rot. Bonds3

About 4-methyl-N-(2-piperidin-1-ylpyrimidin-5-yl)thiadiazole-5-carboxamide

4-methyl-N-(2-piperidin-1-ylpyrimidin-5-yl)thiadiazole-5-carboxamide (PubChem CID 122298559) has the molecular formula C13H16N6OS and a molecular weight of 304.38 g/mol. Its IUPAC name is 4-methyl-N-(2-piperidin-1-ylpyrimidin-5-yl)thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(2-piperidin-1-ylpyrimidin-5-yl)thiadiazole-5-carboxamide
PubChem CID122298559
Molecular FormulaC13H16N6OS
Molecular Weight304.38 g/mol
Exact Mass304.11
IUPAC Name4-methyl-N-(2-piperidin-1-ylpyrimidin-5-yl)thiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)Nc1cnc(N2CCCCC2)nc1
InChIInChI=1S/C13H16N6OS/c1-9-11(21-18-17-9)12(20)16-10-7-14-13(15-8-10)19-5-3-2-4-6-19/h7-8H,2-6H2,1H3,(H,16,20)
InChIKeyLDOAMMICCPPCJO-UHFFFAOYSA-N
XLogP1.88
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 ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-methyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]thiadiazole-5-carboxamide
CID 71789831
4-methyl-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
CID 53014756
4-methyl-2-phenyl-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)-1,3-thiazole-5-carboxamide
CID 91967888
2-methyl-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide
CID 53014761
3-methyl-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide
CID 122298426
N-[2-(azepan-1-yl)pyrimidin-5-yl]pyrazine-2-carboxamide
CID 53164765
5-chloro-N-(2-piperidin-1-ylpyrimidin-5-yl)thiophene-2-carboxamide
CID 53164697
N-[2-(azepan-1-yl)pyrimidin-5-yl]butanamide
CID 53164766
N-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyridine-4-carboxamide
CID 71789978
2-(4-methylphenyl)-N-(2-piperidin-1-ylpyrimidin-5-yl)acetamide
CID 53164666
N-[2-(azepan-1-yl)pyrimidin-5-yl]-6-chloropyridine-3-carboxamide
CID 53164742
N-(2,3-dihydro-1H-inden-5-yl)-4-methylthiadiazole-5-carboxamide
CID 9087191

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-piperidin-1-ylpyrimidin-5-yl)thiadiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-(2-piperidin-1-ylpyrimidin-5-yl)thiadiazole-5-carboxamide (CID 122298559) is 4-methyl-N-(2-piperidin-1-ylpyrimidin-5-yl)thiadiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-(2-piperidin-1-ylpyrimidin-5-yl)thiadiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-(2-piperidin-1-ylpyrimidin-5-yl)thiadiazole-5-carboxamide is Cc1nnsc1C(=O)Nc1cnc(N2CCCCC2)nc1.
What is the InChIKey of 4-methyl-N-(2-piperidin-1-ylpyrimidin-5-yl)thiadiazole-5-carboxamide?
The InChIKey is LDOAMMICCPPCJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6OS/c1-9-11(21-18-17-9)12(20)16-10-7-14-13(15-8-10)19-5-3-2-4-6-19/h7-8H,2-6H2,1H3,(H,16,20).
What are the key properties of 4-methyl-N-(2-piperidin-1-ylpyrimidin-5-yl)thiadiazole-5-carboxamide?
4-methyl-N-(2-piperidin-1-ylpyrimidin-5-yl)thiadiazole-5-carboxamide has a molecular weight of 304.38 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-piperidin-1-ylpyrimidin-5-yl)thiadiazole-5-carboxamide is sourced from PubChem (CID 122298559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).