5-[[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methyl]-3-propan-2-yl-1,2,4-thiadiazole

C16H23N5S — CID 146138398

IUPAC5-[[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methyl]-3-propan-2-yl-1,2,4-thiadiazole
SMILESCc1nccc(C2CCCN(Cc3nc(C(C)C)ns3)C2)n1
InChIInChI=1S/C16H23N5S/c1-11(2)16-19-15(22-20-16)10-21-8-4-5-13(9-21)14-6-7-17-12(3)18-14/h6-7,11,13H,4-5,8-10H2,1-3H3
InChIKeyNVBIHHRMNMGAGM-UHFFFAOYSA-N
MW317.46 g/mol
LogP3.14
Rot. Bonds4

About 5-[[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methyl]-3-propan-2-yl-1,2,4-thiadiazole

5-[[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methyl]-3-propan-2-yl-1,2,4-thiadiazole (PubChem CID 146138398) has the molecular formula C16H23N5S and a molecular weight of 317.46 g/mol. Its IUPAC name is 5-[[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methyl]-3-propan-2-yl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-[[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methyl]-3-propan-2-yl-1,2,4-thiadiazole
PubChem CID146138398
Molecular FormulaC16H23N5S
Molecular Weight317.46 g/mol
Exact Mass317.17
IUPAC Name5-[[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methyl]-3-propan-2-yl-1,2,4-thiadiazole
SMILESCc1nccc(C2CCCN(Cc3nc(C(C)C)ns3)C2)n1
InChIInChI=1S/C16H23N5S/c1-11(2)16-19-15(22-20-16)10-21-8-4-5-13(9-21)14-6-7-17-12(3)18-14/h6-7,11,13H,4-5,8-10H2,1-3H3
InChIKeyNVBIHHRMNMGAGM-UHFFFAOYSA-N
XLogP3.14
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methyl]-3-propan-2-yl-1,2,4-thiadiazole with MolForge

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Related Compounds

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2-methyl-4-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidine
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CID 110114973
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1-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
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4-[[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methyl]oxan-4-ol
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4-[(3S)-1-(2-methylpropyl)piperidin-3-yl]pyrimidin-2-amine
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4,6-dimethyl-2-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]pyrimidine
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Frequently Asked Questions

What is the IUPAC name of 5-[[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methyl]-3-propan-2-yl-1,2,4-thiadiazole?
The IUPAC name of 5-[[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methyl]-3-propan-2-yl-1,2,4-thiadiazole (CID 146138398) is 5-[[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methyl]-3-propan-2-yl-1,2,4-thiadiazole.
What is the SMILES notation for 5-[[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methyl]-3-propan-2-yl-1,2,4-thiadiazole?
The canonical SMILES for 5-[[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methyl]-3-propan-2-yl-1,2,4-thiadiazole is Cc1nccc(C2CCCN(Cc3nc(C(C)C)ns3)C2)n1.
What is the InChIKey of 5-[[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methyl]-3-propan-2-yl-1,2,4-thiadiazole?
The InChIKey is NVBIHHRMNMGAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5S/c1-11(2)16-19-15(22-20-16)10-21-8-4-5-13(9-21)14-6-7-17-12(3)18-14/h6-7,11,13H,4-5,8-10H2,1-3H3.
What are the key properties of 5-[[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methyl]-3-propan-2-yl-1,2,4-thiadiazole?
5-[[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methyl]-3-propan-2-yl-1,2,4-thiadiazole has a molecular weight of 317.46 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methyl]-3-propan-2-yl-1,2,4-thiadiazole is sourced from PubChem (CID 146138398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).