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

C20H26N6S — CID 97436244

IUPACN-[(1S)-1-(2-methylpyrazol-3-yl)propyl]-1-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidin-4-amine
SMILESCC[C@H](NC1CCN(c2nnc(-c3ccccc3)s2)CC1)c1ccnn1C
InChIInChI=1S/C20H26N6S/c1-3-17(18-9-12-21-25(18)2)22-16-10-13-26(14-11-16)20-24-23-19(27-20)15-7-5-4-6-8-15/h4-9,12,16-17,22H,3,10-11,13-14H2,1-2H3/t17-/m0/s1
InChIKeyYMFRDSBKCGILRE-KRWDZBQOSA-N
MW382.54 g/mol
LogP3.65
Rot. Bonds6

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

N-[(1S)-1-(2-methylpyrazol-3-yl)propyl]-1-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidin-4-amine (PubChem CID 97436244) has the molecular formula C20H26N6S and a molecular weight of 382.54 g/mol. Its IUPAC name is N-[(1S)-1-(2-methylpyrazol-3-yl)propyl]-1-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidin-4-amine.

Molecular Properties

Compound NameN-[(1S)-1-(2-methylpyrazol-3-yl)propyl]-1-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidin-4-amine
PubChem CID97436244
Molecular FormulaC20H26N6S
Molecular Weight382.54 g/mol
Exact Mass382.19
IUPAC NameN-[(1S)-1-(2-methylpyrazol-3-yl)propyl]-1-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidin-4-amine
SMILESCC[C@H](NC1CCN(c2nnc(-c3ccccc3)s2)CC1)c1ccnn1C
InChIInChI=1S/C20H26N6S/c1-3-17(18-9-12-21-25(18)2)22-16-10-13-26(14-11-16)20-24-23-19(27-20)15-7-5-4-6-8-15/h4-9,12,16-17,22H,3,10-11,13-14H2,1-2H3/t17-/m0/s1
InChIKeyYMFRDSBKCGILRE-KRWDZBQOSA-N
XLogP3.65
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.54
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-methylpyrazol-3-yl)propyl]-1-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidin-4-amine?
The IUPAC name of N-[(1S)-1-(2-methylpyrazol-3-yl)propyl]-1-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidin-4-amine (CID 97436244) is N-[(1S)-1-(2-methylpyrazol-3-yl)propyl]-1-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidin-4-amine.
What is the SMILES notation for N-[(1S)-1-(2-methylpyrazol-3-yl)propyl]-1-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidin-4-amine?
The canonical SMILES for N-[(1S)-1-(2-methylpyrazol-3-yl)propyl]-1-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidin-4-amine is CC[C@H](NC1CCN(c2nnc(-c3ccccc3)s2)CC1)c1ccnn1C.
What is the InChIKey of N-[(1S)-1-(2-methylpyrazol-3-yl)propyl]-1-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidin-4-amine?
The InChIKey is YMFRDSBKCGILRE-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H26N6S/c1-3-17(18-9-12-21-25(18)2)22-16-10-13-26(14-11-16)20-24-23-19(27-20)15-7-5-4-6-8-15/h4-9,12,16-17,22H,3,10-11,13-14H2,1-2H3/t17-/m0/s1.
What are the key properties of N-[(1S)-1-(2-methylpyrazol-3-yl)propyl]-1-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidin-4-amine?
N-[(1S)-1-(2-methylpyrazol-3-yl)propyl]-1-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidin-4-amine has a molecular weight of 382.54 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2-methylpyrazol-3-yl)propyl]-1-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidin-4-amine is sourced from PubChem (CID 97436244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).