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

C15H20N6OS — CID 646796

IUPAC1-(4,6-dimethylpyrimidin-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
SMILESCc1cc(C)nc(N2CCCC(C(=O)Nc3nnc(C)s3)C2)n1
InChIInChI=1S/C15H20N6OS/c1-9-7-10(2)17-14(16-9)21-6-4-5-12(8-21)13(22)18-15-20-19-11(3)23-15/h7,12H,4-6,8H2,1-3H3,(H,18,20,22)
InChIKeyDGCFHWHNQUQZGF-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-3-carboxamide

1-(4,6-dimethylpyrimidin-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide (PubChem CID 646796) 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-3-carboxamide.

Molecular Properties

Compound Name1-(4,6-dimethylpyrimidin-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
PubChem CID646796
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-3-carboxamide
SMILESCc1cc(C)nc(N2CCCC(C(=O)Nc3nnc(C)s3)C2)n1
InChIInChI=1S/C15H20N6OS/c1-9-7-10(2)17-14(16-9)21-6-4-5-12(8-21)13(22)18-15-20-19-11(3)23-15/h7,12H,4-6,8H2,1-3H3,(H,18,20,22)
InChIKeyDGCFHWHNQUQZGF-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
1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-4-carboxylic acid (5-methyl-[1,3,4]thiadiazol-2-yl)-amide
CID 653906
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-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-(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
1-(4,6-dimethylpyrimidin-2-yl)-N-(3-methyl-1H-1,2,4-triazol-5-yl)piperidine-4-carboxamide
CID 71703420
1-(4,6-Dimethylpyrimidin-2-YL)-N-(5-isopropyl-1H-1,2,4-triazol-3-YL)piperidine-3-carboxamide
CID 71707579

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-3-carboxamide?
The IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide (CID 646796) is 1-(4,6-dimethylpyrimidin-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(4,6-dimethylpyrimidin-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-(4,6-dimethylpyrimidin-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide is Cc1cc(C)nc(N2CCCC(C(=O)Nc3nnc(C)s3)C2)n1.
What is the InChIKey of 1-(4,6-dimethylpyrimidin-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide?
The InChIKey is DGCFHWHNQUQZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6OS/c1-9-7-10(2)17-14(16-9)21-6-4-5-12(8-21)13(22)18-15-20-19-11(3)23-15/h7,12H,4-6,8H2,1-3H3,(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-3-carboxamide?
1-(4,6-dimethylpyrimidin-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-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-3-carboxamide is sourced from PubChem (CID 646796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).