N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-[(1S)-1-methoxyethyl]-1,2,4-thiadiazol-5-amine

C14H18N4OS — CID 164638493

IUPACN-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-[(1S)-1-methoxyethyl]-1,2,4-thiadiazol-5-amine
SMILESCO[C@@H](C)c1nsc(NCc2ccc3c(c2)CNC3)n1
InChIInChI=1S/C14H18N4OS/c1-9(19-2)13-17-14(20-18-13)16-6-10-3-4-11-7-15-8-12(11)5-10/h3-5,9,15H,6-8H2,1-2H3,(H,16,17,18)/t9-/m0/s1
InChIKeyGSUOQMWPMVPNNO-VIFPVBQESA-N
MW290.39 g/mol
LogP2.46
Rot. Bonds5

About N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-[(1S)-1-methoxyethyl]-1,2,4-thiadiazol-5-amine

N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-[(1S)-1-methoxyethyl]-1,2,4-thiadiazol-5-amine (PubChem CID 164638493) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-[(1S)-1-methoxyethyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-[(1S)-1-methoxyethyl]-1,2,4-thiadiazol-5-amine
PubChem CID164638493
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC NameN-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-[(1S)-1-methoxyethyl]-1,2,4-thiadiazol-5-amine
SMILESCO[C@@H](C)c1nsc(NCc2ccc3c(c2)CNC3)n1
InChIInChI=1S/C14H18N4OS/c1-9(19-2)13-17-14(20-18-13)16-6-10-3-4-11-7-15-8-12(11)5-10/h3-5,9,15H,6-8H2,1-2H3,(H,16,17,18)/t9-/m0/s1
InChIKeyGSUOQMWPMVPNNO-VIFPVBQESA-N
XLogP2.46
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-[(1S)-1-methoxyethyl]-1,2,4-thiadiazol-5-amine with MolForge

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Related Compounds

N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107305509
3-(methoxymethyl)-N-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazol-5-amine
CID 122143340
N-[1-(3-fluoro-4-methylphenyl)ethyl]-3-(methoxymethyl)-1,2,4-thiadiazol-5-amine
CID 133350394
N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-3-(methoxymethyl)-1,2,4-thiadiazol-5-amine
CID 133411263
3-(methoxymethyl)-N-{[2-(trifluoromethyl)phenyl]methyl}-1,2,4-thiadiazol-5-amine
CID 168055811
N-(2-methoxyethyl)-3-[(3-methylphenyl)methyl]-1,2,4-thiadiazol-5-amine
CID 65267478
3-(4-ethylphenyl)-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine
CID 65267534
N-(2-methoxyethyl)-3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-amine
CID 65267713
3-[(3,4-dimethylphenyl)methyl]-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine
CID 65267825
N-(2-methoxyethyl)-3-[(2-methylphenyl)methyl]-1,2,4-thiadiazol-5-amine
CID 65268119
N-(2-methoxyethyl)-3-(4-propan-2-ylphenyl)-1,2,4-thiadiazol-5-amine
CID 65268237
3-cyclopropyl-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1,2,4-thiadiazol-5-amine
CID 105357803

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-[(1S)-1-methoxyethyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-[(1S)-1-methoxyethyl]-1,2,4-thiadiazol-5-amine (CID 164638493) is N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-[(1S)-1-methoxyethyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-[(1S)-1-methoxyethyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-[(1S)-1-methoxyethyl]-1,2,4-thiadiazol-5-amine is CO[C@@H](C)c1nsc(NCc2ccc3c(c2)CNC3)n1.
What is the InChIKey of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-[(1S)-1-methoxyethyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is GSUOQMWPMVPNNO-VIFPVBQESA-N. The full InChI is InChI=1S/C14H18N4OS/c1-9(19-2)13-17-14(20-18-13)16-6-10-3-4-11-7-15-8-12(11)5-10/h3-5,9,15H,6-8H2,1-2H3,(H,16,17,18)/t9-/m0/s1.
What are the key properties of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-[(1S)-1-methoxyethyl]-1,2,4-thiadiazol-5-amine?
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-[(1S)-1-methoxyethyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 290.39 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-[(1S)-1-methoxyethyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 164638493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).