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

C17H24N6OS — CID 3224248

IUPAC1-(4,6-dimethylpyrimidin-2-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
SMILESCc1cc(C)nc(N2CCCC(C(=O)Nc3nnc(C(C)C)s3)C2)n1
InChIInChI=1S/C17H24N6OS/c1-10(2)15-21-22-17(25-15)20-14(24)13-6-5-7-23(9-13)16-18-11(3)8-12(4)19-16/h8,10,13H,5-7,9H2,1-4H3,(H,20,22,24)
InChIKeyCQGJRHSZACEFJC-UHFFFAOYSA-N
MW360.49 g/mol
LogP2.92
Rot. Bonds4

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

1-(4,6-dimethylpyrimidin-2-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide (PubChem CID 3224248) has the molecular formula C17H24N6OS and a molecular weight of 360.49 g/mol. Its IUPAC name is 1-(4,6-dimethylpyrimidin-2-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4,6-dimethylpyrimidin-2-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
PubChem CID3224248
Molecular FormulaC17H24N6OS
Molecular Weight360.49 g/mol
Exact Mass360.17
IUPAC Name1-(4,6-dimethylpyrimidin-2-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
SMILESCc1cc(C)nc(N2CCCC(C(=O)Nc3nnc(C(C)C)s3)C2)n1
InChIInChI=1S/C17H24N6OS/c1-10(2)15-21-22-17(25-15)20-14(24)13-6-5-7-23(9-13)16-18-11(3)8-12(4)19-16/h8,10,13H,5-7,9H2,1-4H3,(H,20,22,24)
InChIKeyCQGJRHSZACEFJC-UHFFFAOYSA-N
XLogP2.92
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.49
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide?
The IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide (CID 3224248) is 1-(4,6-dimethylpyrimidin-2-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(4,6-dimethylpyrimidin-2-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-(4,6-dimethylpyrimidin-2-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide is Cc1cc(C)nc(N2CCCC(C(=O)Nc3nnc(C(C)C)s3)C2)n1.
What is the InChIKey of 1-(4,6-dimethylpyrimidin-2-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide?
The InChIKey is CQGJRHSZACEFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6OS/c1-10(2)15-21-22-17(25-15)20-14(24)13-6-5-7-23(9-13)16-18-11(3)8-12(4)19-16/h8,10,13H,5-7,9H2,1-4H3,(H,20,22,24).
What are the key properties of 1-(4,6-dimethylpyrimidin-2-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide?
1-(4,6-dimethylpyrimidin-2-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide has a molecular weight of 360.49 g/mol, XLogP of 2.92, 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-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 3224248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).