N-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-5-phenyl-1,2,4-thiadiazol-3-amine

C17H20N6S — CID 99778841

IUPACN-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-5-phenyl-1,2,4-thiadiazol-3-amine
SMILESCn1cc(N2CCC[C@@H](Nc3nsc(-c4ccccc4)n3)C2)cn1
InChIInChI=1S/C17H20N6S/c1-22-12-15(10-18-22)23-9-5-8-14(11-23)19-17-20-16(24-21-17)13-6-3-2-4-7-13/h2-4,6-7,10,12,14H,5,8-9,11H2,1H3,(H,19,21)/t14-/m1/s1
InChIKeyRFGXRXKIYFNFFQ-CQSZACIVSA-N
MW340.46 g/mol
LogP3.02
Rot. Bonds4

About N-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-5-phenyl-1,2,4-thiadiazol-3-amine

N-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-5-phenyl-1,2,4-thiadiazol-3-amine (PubChem CID 99778841) has the molecular formula C17H20N6S and a molecular weight of 340.46 g/mol. Its IUPAC name is N-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-5-phenyl-1,2,4-thiadiazol-3-amine.

Molecular Properties

Compound NameN-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-5-phenyl-1,2,4-thiadiazol-3-amine
PubChem CID99778841
Molecular FormulaC17H20N6S
Molecular Weight340.46 g/mol
Exact Mass340.15
IUPAC NameN-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-5-phenyl-1,2,4-thiadiazol-3-amine
SMILESCn1cc(N2CCC[C@@H](Nc3nsc(-c4ccccc4)n3)C2)cn1
InChIInChI=1S/C17H20N6S/c1-22-12-15(10-18-22)23-9-5-8-14(11-23)19-17-20-16(24-21-17)13-6-3-2-4-7-13/h2-4,6-7,10,12,14H,5,8-9,11H2,1H3,(H,19,21)/t14-/m1/s1
InChIKeyRFGXRXKIYFNFFQ-CQSZACIVSA-N
XLogP3.02
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 ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-5-phenyl-1,2,4-thiadiazol-3-amine?
The IUPAC name of N-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-5-phenyl-1,2,4-thiadiazol-3-amine (CID 99778841) is N-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-5-phenyl-1,2,4-thiadiazol-3-amine.
What is the SMILES notation for N-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-5-phenyl-1,2,4-thiadiazol-3-amine?
The canonical SMILES for N-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-5-phenyl-1,2,4-thiadiazol-3-amine is Cn1cc(N2CCC[C@@H](Nc3nsc(-c4ccccc4)n3)C2)cn1.
What is the InChIKey of N-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-5-phenyl-1,2,4-thiadiazol-3-amine?
The InChIKey is RFGXRXKIYFNFFQ-CQSZACIVSA-N. The full InChI is InChI=1S/C17H20N6S/c1-22-12-15(10-18-22)23-9-5-8-14(11-23)19-17-20-16(24-21-17)13-6-3-2-4-7-13/h2-4,6-7,10,12,14H,5,8-9,11H2,1H3,(H,19,21)/t14-/m1/s1.
What are the key properties of N-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-5-phenyl-1,2,4-thiadiazol-3-amine?
N-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-5-phenyl-1,2,4-thiadiazol-3-amine has a molecular weight of 340.46 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-5-phenyl-1,2,4-thiadiazol-3-amine is sourced from PubChem (CID 99778841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).