6-ethyl-N-[(4-methylthiadiazol-5-yl)methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide

C16H20N4OS — CID 138010382

IUPAC6-ethyl-N-[(4-methylthiadiazol-5-yl)methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCCc1ccc2c(c1)CCN(C(=O)NCc1snnc1C)C2
InChIInChI=1S/C16H20N4OS/c1-3-12-4-5-14-10-20(7-6-13(14)8-12)16(21)17-9-15-11(2)18-19-22-15/h4-5,8H,3,6-7,9-10H2,1-2H3,(H,17,21)
InChIKeyPETLGDVODICJOC-UHFFFAOYSA-N
MW316.43 g/mol
LogP2.68
Rot. Bonds3

About 6-ethyl-N-[(4-methylthiadiazol-5-yl)methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide

6-ethyl-N-[(4-methylthiadiazol-5-yl)methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide (PubChem CID 138010382) has the molecular formula C16H20N4OS and a molecular weight of 316.43 g/mol. Its IUPAC name is 6-ethyl-N-[(4-methylthiadiazol-5-yl)methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide.

Molecular Properties

Compound Name6-ethyl-N-[(4-methylthiadiazol-5-yl)methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
PubChem CID138010382
Molecular FormulaC16H20N4OS
Molecular Weight316.43 g/mol
Exact Mass316.14
IUPAC Name6-ethyl-N-[(4-methylthiadiazol-5-yl)methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCCc1ccc2c(c1)CCN(C(=O)NCc1snnc1C)C2
InChIInChI=1S/C16H20N4OS/c1-3-12-4-5-14-10-20(7-6-13(14)8-12)16(21)17-9-15-11(2)18-19-22-15/h4-5,8H,3,6-7,9-10H2,1-2H3,(H,17,21)
InChIKeyPETLGDVODICJOC-UHFFFAOYSA-N
XLogP2.68
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-ethyl-N-[(4-methylthiadiazol-5-yl)methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[2-(2-fluorophenyl)ethyl]-N-methyl-N-[(4-methyl-1,2,3-thiadiazol-5-yl)methyl]urea
CID 119070227
N'-[4-fluoro-3-(trifluoromethyl)benzyl]-N-methyl-N-[(4-methyl-1,2,3-thiadiazol-5-yl)methyl]urea
CID 121501866
(2S)-2-[(4-fluorophenyl)methyl]-2-methyl-N-[(4-methylthiadiazol-5-yl)methyl]pyrrolidine-1-carboxamide
CID 129508555
(2R)-2-[(4-fluorophenyl)methyl]-2-methyl-N-[(4-methylthiadiazol-5-yl)methyl]pyrrolidine-1-carboxamide
CID 129508556
2-[(4-fluorophenyl)methyl]-2-methyl-N-[(4-methylthiadiazol-5-yl)methyl]pyrrolidine-1-carboxamide
CID 137833481
4-Methyl-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)thiadiazole
CID 17882256
4-methyl-5-[(1S)-1,2,3,4-tetrahydroisoquinolin-1-yl]thiadiazole
CID 70167759
1-{2,4-dimethyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl}-N-methyl-N-[(4-methyl-1,2,3-thiadiazol-5-yl)methyl]methanamine
CID 91760087
2-(2,5-dimethylphenyl)-N-ethyl-1-(4-propylthiadiazol-5-yl)ethanamine
CID 105100882
N-[2-(2,5-dimethylphenyl)-1-(4-methylthiadiazol-5-yl)ethyl]propan-1-amine
CID 105101103
2-(2,5-dimethylphenyl)-N-ethyl-1-(4-ethylthiadiazol-5-yl)ethanamine
CID 105101225
N-[2-(2,5-dimethylphenyl)-1-(4-ethylthiadiazol-5-yl)ethyl]propan-1-amine
CID 105101289

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N-[(4-methylthiadiazol-5-yl)methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The IUPAC name of 6-ethyl-N-[(4-methylthiadiazol-5-yl)methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide (CID 138010382) is 6-ethyl-N-[(4-methylthiadiazol-5-yl)methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide.
What is the SMILES notation for 6-ethyl-N-[(4-methylthiadiazol-5-yl)methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The canonical SMILES for 6-ethyl-N-[(4-methylthiadiazol-5-yl)methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide is CCc1ccc2c(c1)CCN(C(=O)NCc1snnc1C)C2.
What is the InChIKey of 6-ethyl-N-[(4-methylthiadiazol-5-yl)methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The InChIKey is PETLGDVODICJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4OS/c1-3-12-4-5-14-10-20(7-6-13(14)8-12)16(21)17-9-15-11(2)18-19-22-15/h4-5,8H,3,6-7,9-10H2,1-2H3,(H,17,21).
What are the key properties of 6-ethyl-N-[(4-methylthiadiazol-5-yl)methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide?
6-ethyl-N-[(4-methylthiadiazol-5-yl)methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide has a molecular weight of 316.43 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N-[(4-methylthiadiazol-5-yl)methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide is sourced from PubChem (CID 138010382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).