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

C15H22N6OS — CID 155974400

IUPACN-[1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-3-yl]-N,5-dimethylpyrimidin-2-amine
SMILESCOCc1nsc(N2CCCC(N(C)c3ncc(C)cn3)C2)n1
InChIInChI=1S/C15H22N6OS/c1-11-7-16-14(17-8-11)20(2)12-5-4-6-21(9-12)15-18-13(10-22-3)19-23-15/h7-8,12H,4-6,9-10H2,1-3H3
InChIKeyXYUCSSDKXTVENH-UHFFFAOYSA-N
MW334.45 g/mol
LogP1.89
Rot. Bonds5

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

N-[1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-3-yl]-N,5-dimethylpyrimidin-2-amine (PubChem CID 155974400) has the molecular formula C15H22N6OS and a molecular weight of 334.45 g/mol. Its IUPAC name is N-[1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-3-yl]-N,5-dimethylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-3-yl]-N,5-dimethylpyrimidin-2-amine
PubChem CID155974400
Molecular FormulaC15H22N6OS
Molecular Weight334.45 g/mol
Exact Mass334.16
IUPAC NameN-[1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-3-yl]-N,5-dimethylpyrimidin-2-amine
SMILESCOCc1nsc(N2CCCC(N(C)c3ncc(C)cn3)C2)n1
InChIInChI=1S/C15H22N6OS/c1-11-7-16-14(17-8-11)20(2)12-5-4-6-21(9-12)15-18-13(10-22-3)19-23-15/h7-8,12H,4-6,9-10H2,1-3H3
InChIKeyXYUCSSDKXTVENH-UHFFFAOYSA-N
XLogP1.89
TPSA67.27 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-3-yl]-N,5-dimethylpyrimidin-2-amine?
The IUPAC name of N-[1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-3-yl]-N,5-dimethylpyrimidin-2-amine (CID 155974400) is N-[1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-3-yl]-N,5-dimethylpyrimidin-2-amine.
What is the SMILES notation for N-[1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-3-yl]-N,5-dimethylpyrimidin-2-amine?
The canonical SMILES for N-[1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-3-yl]-N,5-dimethylpyrimidin-2-amine is COCc1nsc(N2CCCC(N(C)c3ncc(C)cn3)C2)n1.
What is the InChIKey of N-[1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-3-yl]-N,5-dimethylpyrimidin-2-amine?
The InChIKey is XYUCSSDKXTVENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6OS/c1-11-7-16-14(17-8-11)20(2)12-5-4-6-21(9-12)15-18-13(10-22-3)19-23-15/h7-8,12H,4-6,9-10H2,1-3H3.
What are the key properties of N-[1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-3-yl]-N,5-dimethylpyrimidin-2-amine?
N-[1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-3-yl]-N,5-dimethylpyrimidin-2-amine has a molecular weight of 334.45 g/mol, XLogP of 1.89, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-3-yl]-N,5-dimethylpyrimidin-2-amine is sourced from PubChem (CID 155974400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).