1-(4,6-dimethylpyrimidin-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide

C15H20N6OS — CID 653906

IUPAC1-(4,6-dimethylpyrimidin-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
SMILESCc1cc(C)nc(N2CCC(C(=O)Nc3nnc(C)s3)CC2)n1
InChIInChI=1S/C15H20N6OS/c1-9-8-10(2)17-14(16-9)21-6-4-12(5-7-21)13(22)18-15-20-19-11(3)23-15/h8,12H,4-7H2,1-3H3,(H,18,20,22)
InChIKeyGPLLWTOHDZTDDU-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.11
Rot. Bonds3

About 1-(4,6-dimethylpyrimidin-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide

1-(4,6-dimethylpyrimidin-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide (PubChem CID 653906) has the molecular formula C15H20N6OS and a molecular weight of 332.43 g/mol. Its IUPAC name is 1-(4,6-dimethylpyrimidin-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4,6-dimethylpyrimidin-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
PubChem CID653906
Molecular FormulaC15H20N6OS
Molecular Weight332.43 g/mol
Exact Mass332.14
IUPAC Name1-(4,6-dimethylpyrimidin-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
SMILESCc1cc(C)nc(N2CCC(C(=O)Nc3nnc(C)s3)CC2)n1
InChIInChI=1S/C15H20N6OS/c1-9-8-10(2)17-14(16-9)21-6-4-12(5-7-21)13(22)18-15-20-19-11(3)23-15/h8,12H,4-7H2,1-3H3,(H,18,20,22)
InChIKeyGPLLWTOHDZTDDU-UHFFFAOYSA-N
XLogP2.11
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(4-Methyl-pyrimidin-2-yl)-piperidine-4-carboxylic acid (5-ethyl-[1,3,4]thiadiazol-2-yl)-amide
CID 645677
4-[4-(4,6-Dimethyl-pyrimidin-2-yl)-piperazin-1-yl]-N-(5-isopropyl-[1,3,4]thiadiazol-2-yl)-4-oxo-butyramide
CID 1413518
1-(4-Methyl-pyrimidin-2-yl)-piperidine-3-carboxylic acid (5-methyl-[1,3,4]thiadiazol-2-yl)-amide
CID 651136
1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-3-carboxylic acid (5-methyl-[1,3,4]thiadiazol-2-yl)-amide
CID 646796
1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-4-carboxylic acid (5-ethyl-[1,3,4]thiadiazol-2-yl)-amide
CID 649062
1-(4-Methyl-pyrimidin-2-yl)-piperidine-4-carboxylic acid (5-methyl-[1,3,4]thiadiazol-2-yl)-amide
CID 649102
1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-3-carboxylic acid (5-ethyl-[1,3,4]thiadiazol-2-yl)-amide
CID 656187
N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(4-methylpiperidin-1-yl)acetamide
CID 2334604
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide
CID 3224249
4-(4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl)-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide
CID 1399900
4-[4-(4,6-Dimethyl-pyrimidin-2-yl)-piperazin-1-yl]-N-(5-isobutyl-[1,3,4]thiadiazol-2-yl)-4-oxo-butyramide
CID 1416624
2-[(4,6-dimethyl-2-pyrimidinyl)sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 3132109

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide (CID 653906) is 1-(4,6-dimethylpyrimidin-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4,6-dimethylpyrimidin-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4,6-dimethylpyrimidin-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide is Cc1cc(C)nc(N2CCC(C(=O)Nc3nnc(C)s3)CC2)n1.
What is the InChIKey of 1-(4,6-dimethylpyrimidin-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide?
The InChIKey is GPLLWTOHDZTDDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6OS/c1-9-8-10(2)17-14(16-9)21-6-4-12(5-7-21)13(22)18-15-20-19-11(3)23-15/h8,12H,4-7H2,1-3H3,(H,18,20,22).
What are the key properties of 1-(4,6-dimethylpyrimidin-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide?
1-(4,6-dimethylpyrimidin-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide has a molecular weight of 332.43 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethylpyrimidin-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 653906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).