N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-(methoxymethyl)-1,2,4-thiadiazol-5-amine

C15H22N6OS — CID 133336157

IUPACN-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-(methoxymethyl)-1,2,4-thiadiazol-5-amine
SMILESCOCc1nsc(NC2CCN(c3cc(C)nc(C)n3)CC2)n1
InChIInChI=1S/C15H22N6OS/c1-10-8-14(17-11(2)16-10)21-6-4-12(5-7-21)18-15-19-13(9-22-3)20-23-15/h8,12H,4-7,9H2,1-3H3,(H,18,19,20)
InChIKeyHNOPDGNYQANJQH-UHFFFAOYSA-N
MW334.45 g/mol
LogP2.17
Rot. Bonds5

About N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-(methoxymethyl)-1,2,4-thiadiazol-5-amine

N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-(methoxymethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 133336157) has the molecular formula C15H22N6OS and a molecular weight of 334.45 g/mol. Its IUPAC name is N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-(methoxymethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-(methoxymethyl)-1,2,4-thiadiazol-5-amine
PubChem CID133336157
Molecular FormulaC15H22N6OS
Molecular Weight334.45 g/mol
Exact Mass334.16
IUPAC NameN-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-(methoxymethyl)-1,2,4-thiadiazol-5-amine
SMILESCOCc1nsc(NC2CCN(c3cc(C)nc(C)n3)CC2)n1
InChIInChI=1S/C15H22N6OS/c1-10-8-14(17-11(2)16-10)21-6-4-12(5-7-21)18-15-19-13(9-22-3)20-23-15/h8,12H,4-7,9H2,1-3H3,(H,18,19,20)
InChIKeyHNOPDGNYQANJQH-UHFFFAOYSA-N
XLogP2.17
TPSA76.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-(methoxymethyl)-1,2,4-thiadiazol-5-amine with MolForge

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Related Compounds

3-(methoxymethyl)-N-(1-methylpiperidin-4-yl)-1,2,4-thiadiazol-5-amine
CID 133383314
N-cyclopropyl-1-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]piperidin-4-amine
CID 133381181
methyl 4-chloro-2-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]amino]-1,3-thiazole-5-carboxylate
CID 133336131
4-[4-(methoxymethyl)piperidin-1-yl]-2,6-dimethylpyrimidine
CID 66801525
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-methylpyrimidin-4-amine
CID 136512883
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-6-methylpyrimidin-4-amine
CID 133336237
1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-N-methylmethanamine
CID 62593348
1-(2,6-dimethylpyrimidin-4-yl)-N-(2-fluorophenyl)piperidin-4-amine
CID 133330878
6-tert-butyl-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 133336089
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-4-methoxybenzenesulfonamide
CID 5303878
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]thieno[2,3-d]pyrimidin-4-amine
CID 133336179
4-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]amino]-3,5-difluorobenzonitrile
CID 133336137

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-(methoxymethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-(methoxymethyl)-1,2,4-thiadiazol-5-amine (CID 133336157) is N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-(methoxymethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-(methoxymethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-(methoxymethyl)-1,2,4-thiadiazol-5-amine is COCc1nsc(NC2CCN(c3cc(C)nc(C)n3)CC2)n1.
What is the InChIKey of N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-(methoxymethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is HNOPDGNYQANJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6OS/c1-10-8-14(17-11(2)16-10)21-6-4-12(5-7-21)18-15-19-13(9-22-3)20-23-15/h8,12H,4-7,9H2,1-3H3,(H,18,19,20).
What are the key properties of N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-(methoxymethyl)-1,2,4-thiadiazol-5-amine?
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-(methoxymethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 334.45 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-(methoxymethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 133336157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).