N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-phenyl-1,2,4-thiadiazol-5-amine

C17H20N6S — CID 167791806

IUPACN-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-phenyl-1,2,4-thiadiazol-5-amine
SMILESCN1CCC(n2cc(Nc3nc(-c4ccccc4)ns3)cn2)CC1
InChIInChI=1S/C17H20N6S/c1-22-9-7-15(8-10-22)23-12-14(11-18-23)19-17-20-16(21-24-17)13-5-3-2-4-6-13/h2-6,11-12,15H,7-10H2,1H3,(H,19,20,21)
InChIKeySVPHLPVXQXFHIE-UHFFFAOYSA-N
MW340.46 g/mol
LogP3.41
Rot. Bonds4

About N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-phenyl-1,2,4-thiadiazol-5-amine

N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-phenyl-1,2,4-thiadiazol-5-amine (PubChem CID 167791806) has the molecular formula C17H20N6S and a molecular weight of 340.46 g/mol. Its IUPAC name is N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-phenyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-phenyl-1,2,4-thiadiazol-5-amine
PubChem CID167791806
Molecular FormulaC17H20N6S
Molecular Weight340.46 g/mol
Exact Mass340.15
IUPAC NameN-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-phenyl-1,2,4-thiadiazol-5-amine
SMILESCN1CCC(n2cc(Nc3nc(-c4ccccc4)ns3)cn2)CC1
InChIInChI=1S/C17H20N6S/c1-22-9-7-15(8-10-22)23-12-14(11-18-23)19-17-20-16(21-24-17)13-5-3-2-4-6-13/h2-6,11-12,15H,7-10H2,1H3,(H,19,20,21)
InChIKeySVPHLPVXQXFHIE-UHFFFAOYSA-N
XLogP3.41
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.46
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-phenyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-phenyl-1,2,4-thiadiazol-5-amine (CID 167791806) is N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-phenyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-phenyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-phenyl-1,2,4-thiadiazol-5-amine is CN1CCC(n2cc(Nc3nc(-c4ccccc4)ns3)cn2)CC1.
What is the InChIKey of N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-phenyl-1,2,4-thiadiazol-5-amine?
The InChIKey is SVPHLPVXQXFHIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6S/c1-22-9-7-15(8-10-22)23-12-14(11-18-23)19-17-20-16(21-24-17)13-5-3-2-4-6-13/h2-6,11-12,15H,7-10H2,1H3,(H,19,20,21).
What are the key properties of N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-phenyl-1,2,4-thiadiazol-5-amine?
N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-phenyl-1,2,4-thiadiazol-5-amine has a molecular weight of 340.46 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-phenyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 167791806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).