5-methyl-N-[6-[(2R)-4-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]morpholin-2-yl]-2-pyridinyl]-1,3,4-thiadiazol-2-amine

C23H28N6OS — CID 125002482

IUPAC5-methyl-N-[6-[(2R)-4-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]morpholin-2-yl]-2-pyridinyl]-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(Nc2cccc([C@H]3CN(Cc4ccc5c(c4)CCCN5C)CCO3)n2)s1
InChIInChI=1S/C23H28N6OS/c1-16-26-27-23(31-16)25-22-7-3-6-19(24-22)21-15-29(11-12-30-21)14-17-8-9-20-18(13-17)5-4-10-28(20)2/h3,6-9,13,21H,4-5,10-12,14-15H2,1-2H3,(H,24,25,27)/t21-/m1/s1
InChIKeySKSIZPBCWDXTKC-OAQYLSRUSA-N
MW436.59 g/mol
LogP3.94
Rot. Bonds5

About 5-methyl-N-[6-[(2R)-4-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]morpholin-2-yl]-2-pyridinyl]-1,3,4-thiadiazol-2-amine

5-methyl-N-[6-[(2R)-4-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]morpholin-2-yl]-2-pyridinyl]-1,3,4-thiadiazol-2-amine (PubChem CID 125002482) has the molecular formula C23H28N6OS and a molecular weight of 436.59 g/mol. Its IUPAC name is 5-methyl-N-[6-[(2R)-4-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]morpholin-2-yl]-2-pyridinyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-methyl-N-[6-[(2R)-4-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]morpholin-2-yl]-2-pyridinyl]-1,3,4-thiadiazol-2-amine
PubChem CID125002482
Molecular FormulaC23H28N6OS
Molecular Weight436.59 g/mol
Exact Mass436.20
IUPAC Name5-methyl-N-[6-[(2R)-4-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]morpholin-2-yl]-2-pyridinyl]-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(Nc2cccc([C@H]3CN(Cc4ccc5c(c4)CCCN5C)CCO3)n2)s1
InChIInChI=1S/C23H28N6OS/c1-16-26-27-23(31-16)25-22-7-3-6-19(24-22)21-15-29(11-12-30-21)14-17-8-9-20-18(13-17)5-4-10-28(20)2/h3,6-9,13,21H,4-5,10-12,14-15H2,1-2H3,(H,24,25,27)/t21-/m1/s1
InChIKeySKSIZPBCWDXTKC-OAQYLSRUSA-N
XLogP3.94
TPSA66.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.59
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[6-[(2R)-4-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]morpholin-2-yl]-2-pyridinyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-methyl-N-[6-[(2R)-4-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]morpholin-2-yl]-2-pyridinyl]-1,3,4-thiadiazol-2-amine (CID 125002482) is 5-methyl-N-[6-[(2R)-4-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]morpholin-2-yl]-2-pyridinyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-methyl-N-[6-[(2R)-4-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]morpholin-2-yl]-2-pyridinyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-methyl-N-[6-[(2R)-4-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]morpholin-2-yl]-2-pyridinyl]-1,3,4-thiadiazol-2-amine is Cc1nnc(Nc2cccc([C@H]3CN(Cc4ccc5c(c4)CCCN5C)CCO3)n2)s1.
What is the InChIKey of 5-methyl-N-[6-[(2R)-4-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]morpholin-2-yl]-2-pyridinyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is SKSIZPBCWDXTKC-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H28N6OS/c1-16-26-27-23(31-16)25-22-7-3-6-19(24-22)21-15-29(11-12-30-21)14-17-8-9-20-18(13-17)5-4-10-28(20)2/h3,6-9,13,21H,4-5,10-12,14-15H2,1-2H3,(H,24,25,27)/t21-/m1/s1.
What are the key properties of 5-methyl-N-[6-[(2R)-4-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]morpholin-2-yl]-2-pyridinyl]-1,3,4-thiadiazol-2-amine?
5-methyl-N-[6-[(2R)-4-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]morpholin-2-yl]-2-pyridinyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 436.59 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[6-[(2R)-4-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]morpholin-2-yl]-2-pyridinyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 125002482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).