(2R)-2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1,2,3,4-tetrahydroacridine-9-carboxamide

C21H24N4OS — CID 2475453

IUPAC(2R)-2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1,2,3,4-tetrahydroacridine-9-carboxamide
SMILESCC(C)Cc1nnc(NC(=O)c2c3c(nc4ccccc24)CC[C@@H](C)C3)s1
InChIInChI=1S/C21H24N4OS/c1-12(2)10-18-24-25-21(27-18)23-20(26)19-14-6-4-5-7-16(14)22-17-9-8-13(3)11-15(17)19/h4-7,12-13H,8-11H2,1-3H3,(H,23,25,26)/t13-/m1/s1
InChIKeyJHPIZNLECJJMBT-CYBMUJFWSA-N
MW380.52 g/mol
LogP4.66
Rot. Bonds4

About (2R)-2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1,2,3,4-tetrahydroacridine-9-carboxamide

(2R)-2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1,2,3,4-tetrahydroacridine-9-carboxamide (PubChem CID 2475453) has the molecular formula C21H24N4OS and a molecular weight of 380.52 g/mol. Its IUPAC name is (2R)-2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1,2,3,4-tetrahydroacridine-9-carboxamide.

Molecular Properties

Compound Name(2R)-2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1,2,3,4-tetrahydroacridine-9-carboxamide
PubChem CID2475453
Molecular FormulaC21H24N4OS
Molecular Weight380.52 g/mol
Exact Mass380.17
IUPAC Name(2R)-2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1,2,3,4-tetrahydroacridine-9-carboxamide
SMILESCC(C)Cc1nnc(NC(=O)c2c3c(nc4ccccc24)CC[C@@H](C)C3)s1
InChIInChI=1S/C21H24N4OS/c1-12(2)10-18-24-25-21(27-18)23-20(26)19-14-6-4-5-7-16(14)22-17-9-8-13(3)11-15(17)19/h4-7,12-13H,8-11H2,1-3H3,(H,23,25,26)/t13-/m1/s1
InChIKeyJHPIZNLECJJMBT-CYBMUJFWSA-N
XLogP4.66
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.52
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 46629122
N-[4-(dimethylcarbamoyl)phenyl]-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxamide
CID 42905717
(2R)-N-cycloheptyl-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxamide
CID 7886798
(2S)-N-(4-bromo-2-fluorophenyl)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxamide
CID 2094922
[(2R)-1-oxo-1-(propylamino)propan-2-yl] (2S)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 8997272
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] (2S)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2638405
[(2R)-1-oxo-1-(propylamino)propan-2-yl] (2R)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 8997268
[2-(3-methylbutylamino)-2-oxoethyl] (2R)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2599494
N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3,4-thiadiazol-2-yl]-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
CID 108732851
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] (2R)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2652513
1-ethyl-4-hydroxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-oxoquinoline-3-carboxamide
CID 54690333
[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] (2S)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2696061

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1,2,3,4-tetrahydroacridine-9-carboxamide?
The IUPAC name of (2R)-2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1,2,3,4-tetrahydroacridine-9-carboxamide (CID 2475453) is (2R)-2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1,2,3,4-tetrahydroacridine-9-carboxamide.
What is the SMILES notation for (2R)-2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1,2,3,4-tetrahydroacridine-9-carboxamide?
The canonical SMILES for (2R)-2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1,2,3,4-tetrahydroacridine-9-carboxamide is CC(C)Cc1nnc(NC(=O)c2c3c(nc4ccccc24)CC[C@@H](C)C3)s1.
What is the InChIKey of (2R)-2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1,2,3,4-tetrahydroacridine-9-carboxamide?
The InChIKey is JHPIZNLECJJMBT-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H24N4OS/c1-12(2)10-18-24-25-21(27-18)23-20(26)19-14-6-4-5-7-16(14)22-17-9-8-13(3)11-15(17)19/h4-7,12-13H,8-11H2,1-3H3,(H,23,25,26)/t13-/m1/s1.
What are the key properties of (2R)-2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1,2,3,4-tetrahydroacridine-9-carboxamide?
(2R)-2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1,2,3,4-tetrahydroacridine-9-carboxamide has a molecular weight of 380.52 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1,2,3,4-tetrahydroacridine-9-carboxamide is sourced from PubChem (CID 2475453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).