N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-3-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine

C18H26N4OS — CID 133335446

IUPACN-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-3-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine
SMILESCOCCc1nsc(NCC(C)(C)N2CCc3ccccc3C2)n1
InChIInChI=1S/C18H26N4OS/c1-18(2,13-19-17-20-16(21-24-17)9-11-23-3)22-10-8-14-6-4-5-7-15(14)12-22/h4-7H,8-13H2,1-3H3,(H,19,20,21)
InChIKeySOBURYTXSQQMPU-UHFFFAOYSA-N
MW346.50 g/mol
LogP2.98
Rot. Bonds7

About N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-3-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine

N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-3-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 133335446) has the molecular formula C18H26N4OS and a molecular weight of 346.50 g/mol. Its IUPAC name is N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-3-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-3-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine
PubChem CID133335446
Molecular FormulaC18H26N4OS
Molecular Weight346.50 g/mol
Exact Mass346.18
IUPAC NameN-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-3-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine
SMILESCOCCc1nsc(NCC(C)(C)N2CCc3ccccc3C2)n1
InChIInChI=1S/C18H26N4OS/c1-18(2,13-19-17-20-16(21-24-17)9-11-23-3)22-10-8-14-6-4-5-7-15(14)12-22/h4-7H,8-13H2,1-3H3,(H,19,20,21)
InChIKeySOBURYTXSQQMPU-UHFFFAOYSA-N
XLogP2.98
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(aminomethyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119850047
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine
CID 127266060
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-2-methoxybenzamide
CID 32764937
2-amino-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]acetamide;dihydrochloride
CID 119850045
3-(2-methoxyethyl)-N-(2-morpholin-4-ylethyl)-1,2,4-thiadiazol-5-amine
CID 133352124
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-3,5-dimethoxybenzamide
CID 32765219
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-6-(trifluoromethyl)pyridazin-3-amine
CID 133418344
1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-3-(2,2-dimethylpropyl)urea
CID 112840167
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 34009199
3-(2-methoxyethyl)-N-[(4-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-amine
CID 133352107
3-(2-methoxyethyl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1,2,4-thiadiazol-5-amine
CID 133382254
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 55690485

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-3-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-3-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine (CID 133335446) is N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-3-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-3-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-3-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine is COCCc1nsc(NCC(C)(C)N2CCc3ccccc3C2)n1.
What is the InChIKey of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-3-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is SOBURYTXSQQMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4OS/c1-18(2,13-19-17-20-16(21-24-17)9-11-23-3)22-10-8-14-6-4-5-7-15(14)12-22/h4-7H,8-13H2,1-3H3,(H,19,20,21).
What are the key properties of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-3-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine?
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-3-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 346.50 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-3-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 133335446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).