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

C14H14ClFN4OS — CID 128738393

IUPAC5-chloro-7-fluoro-N-[1-(thiadiazol-4-yl)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCC(NC(=O)N1CCc2c(Cl)cc(F)cc2C1)c1csnn1
InChIInChI=1S/C14H14ClFN4OS/c1-8(13-7-22-19-18-13)17-14(21)20-3-2-11-9(6-20)4-10(16)5-12(11)15/h4-5,7-8H,2-3,6H2,1H3,(H,17,21)
InChIKeyWMWQOPJAYXWQFE-UHFFFAOYSA-N
MW340.81 g/mol
LogP3.16
Rot. Bonds2

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

5-chloro-7-fluoro-N-[1-(thiadiazol-4-yl)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide (PubChem CID 128738393) has the molecular formula C14H14ClFN4OS and a molecular weight of 340.81 g/mol. Its IUPAC name is 5-chloro-7-fluoro-N-[1-(thiadiazol-4-yl)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide.

Molecular Properties

Compound Name5-chloro-7-fluoro-N-[1-(thiadiazol-4-yl)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
PubChem CID128738393
Molecular FormulaC14H14ClFN4OS
Molecular Weight340.81 g/mol
Exact Mass340.06
IUPAC Name5-chloro-7-fluoro-N-[1-(thiadiazol-4-yl)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCC(NC(=O)N1CCc2c(Cl)cc(F)cc2C1)c1csnn1
InChIInChI=1S/C14H14ClFN4OS/c1-8(13-7-22-19-18-13)17-14(21)20-3-2-11-9(6-20)4-10(16)5-12(11)15/h4-5,7-8H,2-3,6H2,1H3,(H,17,21)
InChIKeyWMWQOPJAYXWQFE-UHFFFAOYSA-N
XLogP3.16
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-chloro-7-fluoro-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

6-chloro-N-[1-(thiadiazol-4-yl)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 128738323
5-chloro-N-(1,1-dioxothiolan-3-yl)-7-fluoro-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 136547126
7-fluoro-N-(1-pyridin-2-ylethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 126778493
5,8-difluoro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 71923068
N-[(1R)-1-(2-chloro-4-fluorophenyl)ethyl]-3-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
CID 146130676
5,7-dichloro-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 126781100
N-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-7-fluoro-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 126793713
3-(7-bromo-5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-oxopropanoic acid
CID 166295968
N-[1-(2-chlorophenyl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 42934643
5,7-difluoro-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 71915637
5,7-difluoro-N-[(2R)-2-methyl-3-(2-methylimidazol-1-yl)propyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 97074725
N-[(1R)-1-(5-chloro-2-fluorophenyl)ethyl]-2-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 167790957

Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-fluoro-N-[1-(thiadiazol-4-yl)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The IUPAC name of 5-chloro-7-fluoro-N-[1-(thiadiazol-4-yl)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide (CID 128738393) is 5-chloro-7-fluoro-N-[1-(thiadiazol-4-yl)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide.
What is the SMILES notation for 5-chloro-7-fluoro-N-[1-(thiadiazol-4-yl)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The canonical SMILES for 5-chloro-7-fluoro-N-[1-(thiadiazol-4-yl)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide is CC(NC(=O)N1CCc2c(Cl)cc(F)cc2C1)c1csnn1.
What is the InChIKey of 5-chloro-7-fluoro-N-[1-(thiadiazol-4-yl)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The InChIKey is WMWQOPJAYXWQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN4OS/c1-8(13-7-22-19-18-13)17-14(21)20-3-2-11-9(6-20)4-10(16)5-12(11)15/h4-5,7-8H,2-3,6H2,1H3,(H,17,21).
What are the key properties of 5-chloro-7-fluoro-N-[1-(thiadiazol-4-yl)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide?
5-chloro-7-fluoro-N-[1-(thiadiazol-4-yl)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide has a molecular weight of 340.81 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-fluoro-N-[1-(thiadiazol-4-yl)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide is sourced from PubChem (CID 128738393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).