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

C14H18N6OS — CID 651136

IUPAC1-(4-methylpyrimidin-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
SMILESCc1ccnc(N2CCCC(C(=O)Nc3nnc(C)s3)C2)n1
InChIInChI=1S/C14H18N6OS/c1-9-5-6-15-13(16-9)20-7-3-4-11(8-20)12(21)17-14-19-18-10(2)22-14/h5-6,11H,3-4,7-8H2,1-2H3,(H,17,19,21)
InChIKeyUBHGBBOFTVCCFF-UHFFFAOYSA-N
MW318.41 g/mol
LogP1.80
Rot. Bonds3

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

1-(4-methylpyrimidin-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide (PubChem CID 651136) has the molecular formula C14H18N6OS and a molecular weight of 318.41 g/mol. Its IUPAC name is 1-(4-methylpyrimidin-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-methylpyrimidin-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
PubChem CID651136
Molecular FormulaC14H18N6OS
Molecular Weight318.41 g/mol
Exact Mass318.13
IUPAC Name1-(4-methylpyrimidin-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
SMILESCc1ccnc(N2CCCC(C(=O)Nc3nnc(C)s3)C2)n1
InChIInChI=1S/C14H18N6OS/c1-9-5-6-15-13(16-9)20-7-3-4-11(8-20)12(21)17-14-19-18-10(2)22-14/h5-6,11H,3-4,7-8H2,1-2H3,(H,17,19,21)
InChIKeyUBHGBBOFTVCCFF-UHFFFAOYSA-N
XLogP1.80
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.41
LogP ≤ 51.80
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
1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-3-carboxylic acid (5-methyl-[1,3,4]thiadiazol-2-yl)-amide
CID 646796
1-Pyrimidin-2-yl-piperidine-4-carboxylic acid (5-tert-butyl-[1,3,4]thiadiazol-2-yl)-amide
CID 647411
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
N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 653812
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
1-(4,6-dimethylpyrimidin-2-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 3224248
1-(4,6-dimethylpyrimidin-2-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 3224189
N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 56075687

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpyrimidin-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide?
The IUPAC name of 1-(4-methylpyrimidin-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide (CID 651136) is 1-(4-methylpyrimidin-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-methylpyrimidin-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-(4-methylpyrimidin-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide is Cc1ccnc(N2CCCC(C(=O)Nc3nnc(C)s3)C2)n1.
What is the InChIKey of 1-(4-methylpyrimidin-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide?
The InChIKey is UBHGBBOFTVCCFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6OS/c1-9-5-6-15-13(16-9)20-7-3-4-11(8-20)12(21)17-14-19-18-10(2)22-14/h5-6,11H,3-4,7-8H2,1-2H3,(H,17,19,21).
What are the key properties of 1-(4-methylpyrimidin-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide?
1-(4-methylpyrimidin-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide has a molecular weight of 318.41 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpyrimidin-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 651136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).