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

C13H18N6OS — CID 126887417

IUPACN-[1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]pyrimidin-4-amine
SMILESCOCc1nsc(N2CCC(Nc3ccncn3)CC2)n1
InChIInChI=1S/C13H18N6OS/c1-20-8-12-17-13(21-18-12)19-6-3-10(4-7-19)16-11-2-5-14-9-15-11/h2,5,9-10H,3-4,6-8H2,1H3,(H,14,15,16)
InChIKeyAECPFLPYMJNQHY-UHFFFAOYSA-N
MW306.40 g/mol
LogP1.56
Rot. Bonds5

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

N-[1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]pyrimidin-4-amine (PubChem CID 126887417) has the molecular formula C13H18N6OS and a molecular weight of 306.40 g/mol. Its IUPAC name is N-[1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]pyrimidin-4-amine
PubChem CID126887417
Molecular FormulaC13H18N6OS
Molecular Weight306.40 g/mol
Exact Mass306.13
IUPAC NameN-[1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]pyrimidin-4-amine
SMILESCOCc1nsc(N2CCC(Nc3ccncn3)CC2)n1
InChIInChI=1S/C13H18N6OS/c1-20-8-12-17-13(21-18-12)19-6-3-10(4-7-19)16-11-2-5-14-9-15-11/h2,5,9-10H,3-4,6-8H2,1H3,(H,14,15,16)
InChIKeyAECPFLPYMJNQHY-UHFFFAOYSA-N
XLogP1.56
TPSA76.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.40
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]pyrimidin-4-amine
CID 126887423
N-[1-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126887407
N-(4-methoxycyclohexyl)pyrimidin-4-amine
CID 123137829
N-[1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126887241
3-(methoxymethyl)-5-[4-(4-pyridin-4-ylpyrimidin-2-yl)piperazin-1-yl]-1,2,4-thiadiazole
CID 163352124
3-(methoxymethyl)-5-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]-1,2,4-thiadiazole
CID 84595563
3-(methoxymethyl)-5-(4-methylpiperazin-1-yl)-1,2,4-thiadiazole
CID 175647986
3-(methoxymethyl)-5-[4-(4-methoxyphenyl)piperazin-1-yl]-1,2,4-thiadiazole
CID 133352235
5-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole
CID 133448681
N-[1-(1-methylbenzimidazol-2-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126887226
cyclopropyl-[4-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]-1,4-diazepan-1-yl]methanone
CID 133499006
5-[4-(4-bromo-3-methylphenyl)piperidin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole
CID 133495967

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]pyrimidin-4-amine?
The IUPAC name of N-[1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]pyrimidin-4-amine (CID 126887417) is N-[1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]pyrimidin-4-amine.
What is the SMILES notation for N-[1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]pyrimidin-4-amine?
The canonical SMILES for N-[1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]pyrimidin-4-amine is COCc1nsc(N2CCC(Nc3ccncn3)CC2)n1.
What is the InChIKey of N-[1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]pyrimidin-4-amine?
The InChIKey is AECPFLPYMJNQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6OS/c1-20-8-12-17-13(21-18-12)19-6-3-10(4-7-19)16-11-2-5-14-9-15-11/h2,5,9-10H,3-4,6-8H2,1H3,(H,14,15,16).
What are the key properties of N-[1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]pyrimidin-4-amine?
N-[1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]pyrimidin-4-amine has a molecular weight of 306.40 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 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-4-yl]pyrimidin-4-amine is sourced from PubChem (CID 126887417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).