5,7-dimethyl-N-[1-(thiadiazol-4-yl)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide

C16H20N4OS — CID 128738339

IUPAC5,7-dimethyl-N-[1-(thiadiazol-4-yl)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCc1cc(C)c2c(c1)CN(C(=O)NC(C)c1csnn1)CC2
InChIInChI=1S/C16H20N4OS/c1-10-6-11(2)14-4-5-20(8-13(14)7-10)16(21)17-12(3)15-9-22-19-18-15/h6-7,9,12H,4-5,8H2,1-3H3,(H,17,21)
InChIKeyGYNMKCKPUDDMMQ-UHFFFAOYSA-N
MW316.43 g/mol
LogP2.98
Rot. Bonds2

About 5,7-dimethyl-N-[1-(thiadiazol-4-yl)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide

5,7-dimethyl-N-[1-(thiadiazol-4-yl)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide (PubChem CID 128738339) has the molecular formula C16H20N4OS and a molecular weight of 316.43 g/mol. Its IUPAC name is 5,7-dimethyl-N-[1-(thiadiazol-4-yl)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide.

Molecular Properties

Compound Name5,7-dimethyl-N-[1-(thiadiazol-4-yl)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
PubChem CID128738339
Molecular FormulaC16H20N4OS
Molecular Weight316.43 g/mol
Exact Mass316.14
IUPAC Name5,7-dimethyl-N-[1-(thiadiazol-4-yl)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCc1cc(C)c2c(c1)CN(C(=O)NC(C)c1csnn1)CC2
InChIInChI=1S/C16H20N4OS/c1-10-6-11(2)14-4-5-20(8-13(14)7-10)16(21)17-12(3)15-9-22-19-18-15/h6-7,9,12H,4-5,8H2,1-3H3,(H,17,21)
InChIKeyGYNMKCKPUDDMMQ-UHFFFAOYSA-N
XLogP2.98
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5,7-dimethyl-N-[1-(thiadiazol-4-yl)ethyl]-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

5-chloro-7-fluoro-N-[1-(thiadiazol-4-yl)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 128738393
1-[1-(Thiadiazol-4-yl)ethyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea
CID 166237009
6-chloro-N-[1-(1,2,3-thiadiazol-4-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-2-carboxamide
CID 128738323
1-(5,6,7,8-tetrahydronaphthalen-2-yl)-N-(thiadiazol-4-ylmethyl)ethanamine
CID 43722116
1-(2,5-dimethylphenyl)-N-(thiadiazol-4-ylmethyl)ethanamine
CID 43732544
1-(2,4-dimethylphenyl)-N-(thiadiazol-4-ylmethyl)ethanamine
CID 54863567
N-[2-(2,5-dimethylphenyl)-1-(thiadiazol-4-yl)ethyl]propan-1-amine
CID 105100904
N-[2-(3,4-dimethylphenyl)-1-(thiadiazol-4-yl)ethyl]propan-1-amine
CID 105109547
2-(3,4-dimethylphenyl)-N-ethyl-1-(thiadiazol-4-yl)ethanamine
CID 105109724
N-[(2,5-dimethylphenyl)-(thiadiazol-4-yl)methyl]propan-1-amine
CID 105120178
N-[(2,5-dimethylphenyl)-(thiadiazol-4-yl)methyl]ethanamine
CID 105120379
N-methyl-1-(thiadiazol-4-yl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 105120685

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-N-[1-(thiadiazol-4-yl)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The IUPAC name of 5,7-dimethyl-N-[1-(thiadiazol-4-yl)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide (CID 128738339) is 5,7-dimethyl-N-[1-(thiadiazol-4-yl)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide.
What is the SMILES notation for 5,7-dimethyl-N-[1-(thiadiazol-4-yl)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The canonical SMILES for 5,7-dimethyl-N-[1-(thiadiazol-4-yl)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide is Cc1cc(C)c2c(c1)CN(C(=O)NC(C)c1csnn1)CC2.
What is the InChIKey of 5,7-dimethyl-N-[1-(thiadiazol-4-yl)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The InChIKey is GYNMKCKPUDDMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4OS/c1-10-6-11(2)14-4-5-20(8-13(14)7-10)16(21)17-12(3)15-9-22-19-18-15/h6-7,9,12H,4-5,8H2,1-3H3,(H,17,21).
What are the key properties of 5,7-dimethyl-N-[1-(thiadiazol-4-yl)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide?
5,7-dimethyl-N-[1-(thiadiazol-4-yl)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide has a molecular weight of 316.43 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-N-[1-(thiadiazol-4-yl)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide is sourced from PubChem (CID 128738339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).