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

C16H22N6OS — CID 656187

IUPAC1-(4,6-dimethylpyrimidin-2-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
SMILESCCc1nnc(NC(=O)C2CCCN(c3nc(C)cc(C)n3)C2)s1
InChIInChI=1S/C16H22N6OS/c1-4-13-20-21-16(24-13)19-14(23)12-6-5-7-22(9-12)15-17-10(2)8-11(3)18-15/h8,12H,4-7,9H2,1-3H3,(H,19,21,23)
InChIKeyHEGUAWAJDRYIMZ-UHFFFAOYSA-N
MW346.46 g/mol
LogP2.36
Rot. Bonds4

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

1-(4,6-dimethylpyrimidin-2-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide (PubChem CID 656187) has the molecular formula C16H22N6OS and a molecular weight of 346.46 g/mol. Its IUPAC name is 1-(4,6-dimethylpyrimidin-2-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4,6-dimethylpyrimidin-2-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
PubChem CID656187
Molecular FormulaC16H22N6OS
Molecular Weight346.46 g/mol
Exact Mass346.16
IUPAC Name1-(4,6-dimethylpyrimidin-2-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
SMILESCCc1nnc(NC(=O)C2CCCN(c3nc(C)cc(C)n3)C2)s1
InChIInChI=1S/C16H22N6OS/c1-4-13-20-21-16(24-13)19-14(23)12-6-5-7-22(9-12)15-17-10(2)8-11(3)18-15/h8,12H,4-7,9H2,1-3H3,(H,19,21,23)
InChIKeyHEGUAWAJDRYIMZ-UHFFFAOYSA-N
XLogP2.36
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-(4,6-dimethylpyrimidin-2-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide?
The IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide (CID 656187) is 1-(4,6-dimethylpyrimidin-2-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(4,6-dimethylpyrimidin-2-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-(4,6-dimethylpyrimidin-2-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide is CCc1nnc(NC(=O)C2CCCN(c3nc(C)cc(C)n3)C2)s1.
What is the InChIKey of 1-(4,6-dimethylpyrimidin-2-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide?
The InChIKey is HEGUAWAJDRYIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6OS/c1-4-13-20-21-16(24-13)19-14(23)12-6-5-7-22(9-12)15-17-10(2)8-11(3)18-15/h8,12H,4-7,9H2,1-3H3,(H,19,21,23).
What are the key properties of 1-(4,6-dimethylpyrimidin-2-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide?
1-(4,6-dimethylpyrimidin-2-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide has a molecular weight of 346.46 g/mol, XLogP of 2.36, 4 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-ethyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 656187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).