2,4-dihydro-[1,3]thiazino[4,3-a]isoquinoline

C12H11NS — CID 152758606

IUPAC2,4-dihydro-[1,3]thiazino[4,3-a]isoquinoline
SMILESC1=CN2CSCC=C2c2ccccc21
InChIInChI=1S/C12H11NS/c1-2-4-11-10(3-1)5-7-13-9-14-8-6-12(11)13/h1-7H,8-9H2
InChIKeyQTEUNSBWNOLMBB-UHFFFAOYSA-N
MW201.29 g/mol
LogP3.02
Rot. Bonds

About 2,4-dihydro-[1,3]thiazino[4,3-a]isoquinoline

2,4-dihydro-[1,3]thiazino[4,3-a]isoquinoline (PubChem CID 152758606) has the molecular formula C12H11NS and a molecular weight of 201.29 g/mol. Its IUPAC name is 2,4-dihydro-[1,3]thiazino[4,3-a]isoquinoline.

Molecular Properties

Compound Name2,4-dihydro-[1,3]thiazino[4,3-a]isoquinoline
PubChem CID152758606
Molecular FormulaC12H11NS
Molecular Weight201.29 g/mol
Exact Mass201.06
IUPAC Name2,4-dihydro-[1,3]thiazino[4,3-a]isoquinoline
SMILESC1=CN2CSCC=C2c2ccccc21
InChIInChI=1S/C12H11NS/c1-2-4-11-10(3-1)5-7-13-9-14-8-6-12(11)13/h1-7H,8-9H2
InChIKeyQTEUNSBWNOLMBB-UHFFFAOYSA-N
XLogP3.02
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,4-dihydro-[1,3]thiazino[4,3-a]isoquinoline 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-(3H-inden-1-yl)-1H-isoquinoline
CID 174459592
4H-benzo[a]quinolizine-3-carboxylic acid
CID 135314294
4H-benzo[a]quinolizine-3-carboxamide
CID 140524900
(10Z,13Z)-12-methyl-2,3-dimethylidene-12-azatricyclo[13.4.0.04,9]nonadeca-1(19),4,6,8,10,13,15,17-octaene
CID 145387131
8H-isoquinolino[1,2-b]quinazoline
CID 132503377
5-methylbenzo[d][1]benzazepine
CID 67174397
2H-benzo[a]quinolizine-2-carbonitrile
CID 154489905
(8Z)-pentacyclo[14.8.0.02,7.010,15.018,23]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene
CID 177396805
tricyclo[14.4.0.02,7]icosa-1(20),2,4,6,8,10,12,14,16,18-decaene
CID 123254733
iridium;tris(2-phenyl-1H-isoquinoline)
CID 158402559
2-propan-2-ylidenetricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene
CID 14290121
3-hydroxy-3-benzazepine
CID 56629441

Frequently Asked Questions

What is the IUPAC name of 2,4-dihydro-[1,3]thiazino[4,3-a]isoquinoline?
The IUPAC name of 2,4-dihydro-[1,3]thiazino[4,3-a]isoquinoline (CID 152758606) is 2,4-dihydro-[1,3]thiazino[4,3-a]isoquinoline.
What is the SMILES notation for 2,4-dihydro-[1,3]thiazino[4,3-a]isoquinoline?
The canonical SMILES for 2,4-dihydro-[1,3]thiazino[4,3-a]isoquinoline is C1=CN2CSCC=C2c2ccccc21.
What is the InChIKey of 2,4-dihydro-[1,3]thiazino[4,3-a]isoquinoline?
The InChIKey is QTEUNSBWNOLMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NS/c1-2-4-11-10(3-1)5-7-13-9-14-8-6-12(11)13/h1-7H,8-9H2.
What are the key properties of 2,4-dihydro-[1,3]thiazino[4,3-a]isoquinoline?
2,4-dihydro-[1,3]thiazino[4,3-a]isoquinoline has a molecular weight of 201.29 g/mol, XLogP of 3.02, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dihydro-[1,3]thiazino[4,3-a]isoquinoline is sourced from PubChem (CID 152758606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).