N-[5-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]-3-pyridin-2-yl-1,2,4-thiadiazol-5-amine

C18H20N6OS — CID 155243855

IUPACN-[5-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]-3-pyridin-2-yl-1,2,4-thiadiazol-5-amine
SMILESCN1CCC(Oc2ccc(Nc3nc(-c4ccccn4)ns3)nc2)CC1
InChIInChI=1S/C18H20N6OS/c1-24-10-7-13(8-11-24)25-14-5-6-16(20-12-14)21-18-22-17(23-26-18)15-4-2-3-9-19-15/h2-6,9,12-13H,7-8,10-11H2,1H3,(H,20,21,22,23)
InChIKeyKMASFZHPXXRCPF-UHFFFAOYSA-N
MW368.47 g/mol
LogP3.21
Rot. Bonds5

About N-[5-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]-3-pyridin-2-yl-1,2,4-thiadiazol-5-amine

N-[5-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]-3-pyridin-2-yl-1,2,4-thiadiazol-5-amine (PubChem CID 155243855) has the molecular formula C18H20N6OS and a molecular weight of 368.47 g/mol. Its IUPAC name is N-[5-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]-3-pyridin-2-yl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[5-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]-3-pyridin-2-yl-1,2,4-thiadiazol-5-amine
PubChem CID155243855
Molecular FormulaC18H20N6OS
Molecular Weight368.47 g/mol
Exact Mass368.14
IUPAC NameN-[5-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]-3-pyridin-2-yl-1,2,4-thiadiazol-5-amine
SMILESCN1CCC(Oc2ccc(Nc3nc(-c4ccccn4)ns3)nc2)CC1
InChIInChI=1S/C18H20N6OS/c1-24-10-7-13(8-11-24)25-14-5-6-16(20-12-14)21-18-22-17(23-26-18)15-4-2-3-9-19-15/h2-6,9,12-13H,7-8,10-11H2,1H3,(H,20,21,22,23)
InChIKeyKMASFZHPXXRCPF-UHFFFAOYSA-N
XLogP3.21
TPSA76.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[5-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]-3-pyridin-2-yl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[5-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]-3-pyridin-2-yl-1,2,4-thiadiazol-5-amine (CID 155243855) is N-[5-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]-3-pyridin-2-yl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[5-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]-3-pyridin-2-yl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[5-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]-3-pyridin-2-yl-1,2,4-thiadiazol-5-amine is CN1CCC(Oc2ccc(Nc3nc(-c4ccccn4)ns3)nc2)CC1.
What is the InChIKey of N-[5-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]-3-pyridin-2-yl-1,2,4-thiadiazol-5-amine?
The InChIKey is KMASFZHPXXRCPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6OS/c1-24-10-7-13(8-11-24)25-14-5-6-16(20-12-14)21-18-22-17(23-26-18)15-4-2-3-9-19-15/h2-6,9,12-13H,7-8,10-11H2,1H3,(H,20,21,22,23).
What are the key properties of N-[5-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]-3-pyridin-2-yl-1,2,4-thiadiazol-5-amine?
N-[5-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]-3-pyridin-2-yl-1,2,4-thiadiazol-5-amine has a molecular weight of 368.47 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]-3-pyridin-2-yl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 155243855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).