3H-[1,3]thiazolo[3,4-b]isoquinoline;hydrochloride

C11H10ClNS — CID 172764105

IUPAC3H-[1,3]thiazolo[3,4-b]isoquinoline;hydrochloride
SMILESC1=C2C=c3ccccc3=CN2CS1.Cl
InChIInChI=1S/C11H9NS.ClH/c1-2-4-10-6-12-8-13-7-11(12)5-9(10)3-1;/h1-7H,8H2;1H
InChIKeyMBTKCMMZUKQCGB-UHFFFAOYSA-N
MW223.73 g/mol
LogP1.49
Rot. Bonds

About 3H-[1,3]thiazolo[3,4-b]isoquinoline;hydrochloride

3H-[1,3]thiazolo[3,4-b]isoquinoline;hydrochloride (PubChem CID 172764105) has the molecular formula C11H10ClNS and a molecular weight of 223.73 g/mol. Its IUPAC name is 3H-[1,3]thiazolo[3,4-b]isoquinoline;hydrochloride.

Molecular Properties

Compound Name3H-[1,3]thiazolo[3,4-b]isoquinoline;hydrochloride
PubChem CID172764105
Molecular FormulaC11H10ClNS
Molecular Weight223.73 g/mol
Exact Mass223.02
IUPAC Name3H-[1,3]thiazolo[3,4-b]isoquinoline;hydrochloride
SMILESC1=C2C=c3ccccc3=CN2CS1.Cl
InChIInChI=1S/C11H9NS.ClH/c1-2-4-10-6-12-8-13-7-11(12)5-9(10)3-1;/h1-7H,8H2;1H
InChIKeyMBTKCMMZUKQCGB-UHFFFAOYSA-N
XLogP1.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.73
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2H-benzo[b]quinolizine
CID 154105828
2H-pyrazino[1,2-b]isoquinoline
CID 118184969
3-iodo-2-methyl-3H-imidazo[1,5-b]isoquinoline
CID 143462531
1,2,3,4,4a,5-hexahydroisoquinolino[3,2-c][1,4]benzodiazepine
CID 148547444
2,3-dihydronaphthalene;methane
CID 142417654
1H-isoquinolino[2,1-b]isoquinoline
CID 19964382
3-(2-chlorophenyl)-2H-1,3-thiazole
CID 174717593
4-phenyl-1,2,4-dithiazolidine
CID 101427405
16-diazotetracyclo[9.7.0.03,8.012,17]octadeca-2,4,6,8,10,14,17-heptaen-10-amine;hydrochloride
CID 87961341
6,7-dimethyl-8H-benzo[7]annulene
CID 142504411
ethane;3-methylidene-2H-naphthalene
CID 144558774
3-phenyl-5-(4-phenylphenyl)-2H-1,3-thiazole
CID 140714664

Frequently Asked Questions

What is the IUPAC name of 3H-[1,3]thiazolo[3,4-b]isoquinoline;hydrochloride?
The IUPAC name of 3H-[1,3]thiazolo[3,4-b]isoquinoline;hydrochloride (CID 172764105) is 3H-[1,3]thiazolo[3,4-b]isoquinoline;hydrochloride.
What is the SMILES notation for 3H-[1,3]thiazolo[3,4-b]isoquinoline;hydrochloride?
The canonical SMILES for 3H-[1,3]thiazolo[3,4-b]isoquinoline;hydrochloride is C1=C2C=c3ccccc3=CN2CS1.Cl.
What is the InChIKey of 3H-[1,3]thiazolo[3,4-b]isoquinoline;hydrochloride?
The InChIKey is MBTKCMMZUKQCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NS.ClH/c1-2-4-10-6-12-8-13-7-11(12)5-9(10)3-1;/h1-7H,8H2;1H.
What are the key properties of 3H-[1,3]thiazolo[3,4-b]isoquinoline;hydrochloride?
3H-[1,3]thiazolo[3,4-b]isoquinoline;hydrochloride has a molecular weight of 223.73 g/mol, XLogP of 1.49, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-[1,3]thiazolo[3,4-b]isoquinoline;hydrochloride is sourced from PubChem (CID 172764105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).