2-benzoyl-N-(4,5-dihydro-1,3-thiazol-2-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

C20H19N3O2S — CID 2997722

IUPAC2-benzoyl-N-(4,5-dihydro-1,3-thiazol-2-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
SMILESO=C(NC1=NCCS1)C1Cc2ccccc2CN1C(=O)c1ccccc1
InChIInChI=1S/C20H19N3O2S/c24-18(22-20-21-10-11-26-20)17-12-15-8-4-5-9-16(15)13-23(17)19(25)14-6-2-1-3-7-14/h1-9,17H,10-13H2,(H,21,22,24)
InChIKeySOLRIRBZSIOCKE-UHFFFAOYSA-N
MW365.46 g/mol
LogP2.47
Rot. Bonds2

About 2-benzoyl-N-(4,5-dihydro-1,3-thiazol-2-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

2-benzoyl-N-(4,5-dihydro-1,3-thiazol-2-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide (PubChem CID 2997722) has the molecular formula C20H19N3O2S and a molecular weight of 365.46 g/mol. Its IUPAC name is 2-benzoyl-N-(4,5-dihydro-1,3-thiazol-2-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide.

Molecular Properties

Compound Name2-benzoyl-N-(4,5-dihydro-1,3-thiazol-2-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
PubChem CID2997722
Molecular FormulaC20H19N3O2S
Molecular Weight365.46 g/mol
Exact Mass365.12
IUPAC Name2-benzoyl-N-(4,5-dihydro-1,3-thiazol-2-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
SMILESO=C(NC1=NCCS1)C1Cc2ccccc2CN1C(=O)c1ccccc1
InChIInChI=1S/C20H19N3O2S/c24-18(22-20-21-10-11-26-20)17-12-15-8-4-5-9-16(15)13-23(17)19(25)14-6-2-1-3-7-14/h1-9,17H,10-13H2,(H,21,22,24)
InChIKeySOLRIRBZSIOCKE-UHFFFAOYSA-N
XLogP2.47
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-benzoyl-N-(4,5-dihydro-1,3-thiazol-2-yl)-3,4-dihydro-1H-isoquinoline-3-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-[(2S)-1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 892629
N-[1-(4-benzoylpiperazin-1-yl)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
CID 4963699
(2S)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide
CID 2079722
4-tert-butyl-N-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 2936726
N-[1-(4,5-Dihydro-thiazol-2-ylcarbamoyl)-2-methyl-propyl]-benzamide
CID 2942103
6-amino-2-{[2-(3,4-dihydro-2(1H)-isoquinolinyl)-2-oxoethyl]thio}-5-phenyl-4(3H)-pyrimidinone
CID 135414682
N-(4-amino-2-((2-(benzylamino)-2-oxoethyl)thio)-6-oxo-1,6-dihydropyrimidin-5-yl)-2-fluorobenzamide
CID 135521480
N-(4-amino-6-oxo-2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-1,6-dihydropyrimidin-5-yl)-2-fluorobenzamide
CID 135700670
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 2998455
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanamide
CID 4662151
(3S)-N-{(2S)-4-(methylsulfanyl)-1-oxo-1-[(1-phenylethyl)amino]butan-2-yl}-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 17578031
N-[6-amino-2-[[2-(4-methyl-1-piperidinyl)-2-oxoethyl]thio]-4-oxo-1H-pyrimidin-5-yl]benzamide
CID 135831373

Frequently Asked Questions

What is the IUPAC name of 2-benzoyl-N-(4,5-dihydro-1,3-thiazol-2-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide?
The IUPAC name of 2-benzoyl-N-(4,5-dihydro-1,3-thiazol-2-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide (CID 2997722) is 2-benzoyl-N-(4,5-dihydro-1,3-thiazol-2-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide.
What is the SMILES notation for 2-benzoyl-N-(4,5-dihydro-1,3-thiazol-2-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide?
The canonical SMILES for 2-benzoyl-N-(4,5-dihydro-1,3-thiazol-2-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide is O=C(NC1=NCCS1)C1Cc2ccccc2CN1C(=O)c1ccccc1.
What is the InChIKey of 2-benzoyl-N-(4,5-dihydro-1,3-thiazol-2-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide?
The InChIKey is SOLRIRBZSIOCKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2S/c24-18(22-20-21-10-11-26-20)17-12-15-8-4-5-9-16(15)13-23(17)19(25)14-6-2-1-3-7-14/h1-9,17H,10-13H2,(H,21,22,24).
What are the key properties of 2-benzoyl-N-(4,5-dihydro-1,3-thiazol-2-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide?
2-benzoyl-N-(4,5-dihydro-1,3-thiazol-2-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide has a molecular weight of 365.46 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzoyl-N-(4,5-dihydro-1,3-thiazol-2-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide is sourced from PubChem (CID 2997722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).