2-(1,3-thiazol-5-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-amine

C13H15N3S — CID 112640977

IUPAC2-(1,3-thiazol-5-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-amine
SMILESNc1ccc2c(c1)CN(Cc1cncs1)CC2
InChIInChI=1S/C13H15N3S/c14-12-2-1-10-3-4-16(7-11(10)5-12)8-13-6-15-9-17-13/h1-2,5-6,9H,3-4,7-8,14H2
InChIKeyHHRUKKWNBIEYFK-UHFFFAOYSA-N
MW245.35 g/mol
LogP2.28
Rot. Bonds2

About 2-(1,3-thiazol-5-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-amine

2-(1,3-thiazol-5-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-amine (PubChem CID 112640977) has the molecular formula C13H15N3S and a molecular weight of 245.35 g/mol. Its IUPAC name is 2-(1,3-thiazol-5-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-amine.

Molecular Properties

Compound Name2-(1,3-thiazol-5-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-amine
PubChem CID112640977
Molecular FormulaC13H15N3S
Molecular Weight245.35 g/mol
Exact Mass245.10
IUPAC Name2-(1,3-thiazol-5-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-amine
SMILESNc1ccc2c(c1)CN(Cc1cncs1)CC2
InChIInChI=1S/C13H15N3S/c14-12-2-1-10-3-4-16(7-11(10)5-12)8-13-6-15-9-17-13/h1-2,5-6,9H,3-4,7-8,14H2
InChIKeyHHRUKKWNBIEYFK-UHFFFAOYSA-N
XLogP2.28
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(1,3-thiazol-5-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-amine 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

2-benzyl-3,4-dihydro-1H-isoquinolin-7-amine;hydrochloride
CID 23298431
2-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinolin-7-amine
CID 39358153
6-[4-(1,3-thiazol-5-ylmethyl)piperazin-1-yl]pyridin-3-amine
CID 112640956
5-[(2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazole
CID 24912169
2-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3-dihydroisoindol-5-amine
CID 54962658
5-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole
CID 18738462
2-[(4-fluoro-2-methylphenyl)methyl]-3,4-dihydro-1H-isoquinolin-7-amine
CID 114346238
2-[(3-bromo-2,6-difluorophenyl)methyl]-3,4-dihydro-1H-isoquinolin-7-amine
CID 106264362
3-(7-amino-3,4-dihydro-1H-isoquinolin-2-yl)propanoic acid
CID 82581927
5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,3-thiazole
CID 130918068
4-[(7-amino-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-3-methylbenzonitrile
CID 114484252
3-(7-amino-3,4-dihydro-1H-isoquinolin-2-yl)propane-1-sulfonic acid;hydrochloride
CID 141108484

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-thiazol-5-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-amine?
The IUPAC name of 2-(1,3-thiazol-5-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-amine (CID 112640977) is 2-(1,3-thiazol-5-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-amine.
What is the SMILES notation for 2-(1,3-thiazol-5-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-amine?
The canonical SMILES for 2-(1,3-thiazol-5-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-amine is Nc1ccc2c(c1)CN(Cc1cncs1)CC2.
What is the InChIKey of 2-(1,3-thiazol-5-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-amine?
The InChIKey is HHRUKKWNBIEYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3S/c14-12-2-1-10-3-4-16(7-11(10)5-12)8-13-6-15-9-17-13/h1-2,5-6,9H,3-4,7-8,14H2.
What are the key properties of 2-(1,3-thiazol-5-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-amine?
2-(1,3-thiazol-5-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-amine has a molecular weight of 245.35 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-thiazol-5-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-amine is sourced from PubChem (CID 112640977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).