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

C20H26N6S — CID 72842744

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-1-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidin-4-amine
SMILESCc1c(CN(C)C2CCN(c3nnc(-c4ccccc4)s3)CC2)cnn1C
InChIInChI=1S/C20H26N6S/c1-15-17(13-21-25(15)3)14-24(2)18-9-11-26(12-10-18)20-23-22-19(27-20)16-7-5-4-6-8-16/h4-8,13,18H,9-12,14H2,1-3H3
InChIKeyNGDCHBRAMCEPDL-UHFFFAOYSA-N
MW382.54 g/mol
LogP3.35
Rot. Bonds5

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

N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-1-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidin-4-amine (PubChem CID 72842744) has the molecular formula C20H26N6S and a molecular weight of 382.54 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-1-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidin-4-amine.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-1-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidin-4-amine
PubChem CID72842744
Molecular FormulaC20H26N6S
Molecular Weight382.54 g/mol
Exact Mass382.19
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-1-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidin-4-amine
SMILESCc1c(CN(C)C2CCN(c3nnc(-c4ccccc4)s3)CC2)cnn1C
InChIInChI=1S/C20H26N6S/c1-15-17(13-21-25(15)3)14-24(2)18-9-11-26(12-10-18)20-23-22-19(27-20)16-7-5-4-6-8-16/h4-8,13,18H,9-12,14H2,1-3H3
InChIKeyNGDCHBRAMCEPDL-UHFFFAOYSA-N
XLogP3.35
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.54
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-1-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidin-4-amine?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-1-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidin-4-amine (CID 72842744) is N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-1-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidin-4-amine.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-1-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidin-4-amine?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-1-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidin-4-amine is Cc1c(CN(C)C2CCN(c3nnc(-c4ccccc4)s3)CC2)cnn1C.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-1-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidin-4-amine?
The InChIKey is NGDCHBRAMCEPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6S/c1-15-17(13-21-25(15)3)14-24(2)18-9-11-26(12-10-18)20-23-22-19(27-20)16-7-5-4-6-8-16/h4-8,13,18H,9-12,14H2,1-3H3.
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-1-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidin-4-amine?
N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-1-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidin-4-amine has a molecular weight of 382.54 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-1-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidin-4-amine is sourced from PubChem (CID 72842744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).