N'-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3,4-dihydro-1H-isoquinoline-2-carboximidamide

C16H20N4S — CID 110947432

IUPACN'-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3,4-dihydro-1H-isoquinoline-2-carboximidamide
SMILESC/N=C(\NCc1scnc1C)N1CCc2ccccc2C1
InChIInChI=1S/C16H20N4S/c1-12-15(21-11-19-12)9-18-16(17-2)20-8-7-13-5-3-4-6-14(13)10-20/h3-6,11H,7-10H2,1-2H3,(H,17,18)
InChIKeyNGHVLXGGBUMNMW-UHFFFAOYSA-N
MW300.43 g/mol
LogP2.59
Rot. Bonds2

About N'-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3,4-dihydro-1H-isoquinoline-2-carboximidamide

N'-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3,4-dihydro-1H-isoquinoline-2-carboximidamide (PubChem CID 110947432) has the molecular formula C16H20N4S and a molecular weight of 300.43 g/mol. Its IUPAC name is N'-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3,4-dihydro-1H-isoquinoline-2-carboximidamide.

Molecular Properties

Compound NameN'-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3,4-dihydro-1H-isoquinoline-2-carboximidamide
PubChem CID110947432
Molecular FormulaC16H20N4S
Molecular Weight300.43 g/mol
Exact Mass300.14
IUPAC NameN'-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3,4-dihydro-1H-isoquinoline-2-carboximidamide
SMILESC/N=C(\NCc1scnc1C)N1CCc2ccccc2C1
InChIInChI=1S/C16H20N4S/c1-12-15(21-11-19-12)9-18-16(17-2)20-8-7-13-5-3-4-6-14(13)10-20/h3-6,11H,7-10H2,1-2H3,(H,17,18)
InChIKeyNGHVLXGGBUMNMW-UHFFFAOYSA-N
XLogP2.59
TPSA40.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N'-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3,4-dihydro-1H-isoquinoline-2-carboximidamide 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'-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,3-dihydroindole-1-carboximidamide
CID 110984898
N'-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 119115606
N'-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-3,4-dihydro-1H-isoquinoline-2-carboximidamide
CID 111545637
N',4-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111210020
N'-methyl-3-(2-methylphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 119142894
N-[(4-cyanophenyl)methyl]-N'-methyl-3,4-dihydro-1H-isoquinoline-2-carboximidamide
CID 110946458
2-[[C-(3,4-dihydro-1H-isoquinolin-2-yl)-N-methylcarbonimidoyl]amino]-N-phenylacetamide;hydroiodide
CID 110946833
N-[(6-methoxy-2-pyridinyl)methyl]-N'-methyl-3,4-dihydro-1H-isoquinoline-2-carboximidamide;hydroiodide
CID 110946721
4-(3-chlorophenyl)-N'-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]piperazine-1-carboximidamide
CID 111186513
N'-methyl-2-(2-methylphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholine-4-carboximidamide
CID 109481243
N'-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-azaspiro[4.5]decane-2-carboximidamide
CID 111745214
N'-methyl-N-(2-pyridin-2-ylethyl)-3,4-dihydro-1H-isoquinoline-2-carboximidamide
CID 110946820

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3,4-dihydro-1H-isoquinoline-2-carboximidamide?
The IUPAC name of N'-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3,4-dihydro-1H-isoquinoline-2-carboximidamide (CID 110947432) is N'-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3,4-dihydro-1H-isoquinoline-2-carboximidamide.
What is the SMILES notation for N'-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3,4-dihydro-1H-isoquinoline-2-carboximidamide?
The canonical SMILES for N'-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3,4-dihydro-1H-isoquinoline-2-carboximidamide is C/N=C(\NCc1scnc1C)N1CCc2ccccc2C1.
What is the InChIKey of N'-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3,4-dihydro-1H-isoquinoline-2-carboximidamide?
The InChIKey is NGHVLXGGBUMNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4S/c1-12-15(21-11-19-12)9-18-16(17-2)20-8-7-13-5-3-4-6-14(13)10-20/h3-6,11H,7-10H2,1-2H3,(H,17,18).
What are the key properties of N'-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3,4-dihydro-1H-isoquinoline-2-carboximidamide?
N'-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3,4-dihydro-1H-isoquinoline-2-carboximidamide has a molecular weight of 300.43 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3,4-dihydro-1H-isoquinoline-2-carboximidamide is sourced from PubChem (CID 110947432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).