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

C16H23FN6OS — CID 163344006

IUPAC5-fluoro-N-[[1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]-N,6-dimethylpyrimidin-4-amine
SMILESCOCc1nsc(N2CCC(CN(C)c3ncnc(C)c3F)CC2)n1
InChIInChI=1S/C16H23FN6OS/c1-11-14(17)15(19-10-18-11)22(2)8-12-4-6-23(7-5-12)16-20-13(9-24-3)21-25-16/h10,12H,4-9H2,1-3H3
InChIKeyGZZCZUWIEBEHGA-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.27
Rot. Bonds6

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

5-fluoro-N-[[1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]-N,6-dimethylpyrimidin-4-amine (PubChem CID 163344006) has the molecular formula C16H23FN6OS and a molecular weight of 366.47 g/mol. Its IUPAC name is 5-fluoro-N-[[1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]-N,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-N-[[1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]-N,6-dimethylpyrimidin-4-amine
PubChem CID163344006
Molecular FormulaC16H23FN6OS
Molecular Weight366.47 g/mol
Exact Mass366.16
IUPAC Name5-fluoro-N-[[1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]-N,6-dimethylpyrimidin-4-amine
SMILESCOCc1nsc(N2CCC(CN(C)c3ncnc(C)c3F)CC2)n1
InChIInChI=1S/C16H23FN6OS/c1-11-14(17)15(19-10-18-11)22(2)8-12-4-6-23(7-5-12)16-20-13(9-24-3)21-25-16/h10,12H,4-9H2,1-3H3
InChIKeyGZZCZUWIEBEHGA-UHFFFAOYSA-N
XLogP2.27
TPSA67.27 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[[1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]-N,6-dimethylpyrimidin-4-amine?
The IUPAC name of 5-fluoro-N-[[1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]-N,6-dimethylpyrimidin-4-amine (CID 163344006) is 5-fluoro-N-[[1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]-N,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-N-[[1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]-N,6-dimethylpyrimidin-4-amine?
The canonical SMILES for 5-fluoro-N-[[1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]-N,6-dimethylpyrimidin-4-amine is COCc1nsc(N2CCC(CN(C)c3ncnc(C)c3F)CC2)n1.
What is the InChIKey of 5-fluoro-N-[[1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]-N,6-dimethylpyrimidin-4-amine?
The InChIKey is GZZCZUWIEBEHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN6OS/c1-11-14(17)15(19-10-18-11)22(2)8-12-4-6-23(7-5-12)16-20-13(9-24-3)21-25-16/h10,12H,4-9H2,1-3H3.
What are the key properties of 5-fluoro-N-[[1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]-N,6-dimethylpyrimidin-4-amine?
5-fluoro-N-[[1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]-N,6-dimethylpyrimidin-4-amine has a molecular weight of 366.47 g/mol, XLogP of 2.27, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[[1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]-N,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 163344006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).