4,5-dihydro-[1,3]thiazolo[4,5-f]isoquinolin-2-amine

C10H9N3S — CID 15065266

IUPAC4,5-dihydro-[1,3]thiazolo[4,5-f]isoquinolin-2-amine
SMILESNc1nc2c(s1)CCc1cnccc1-2
InChIInChI=1S/C10H9N3S/c11-10-13-9-7-3-4-12-5-6(7)1-2-8(9)14-10/h3-5H,1-2H2,(H2,11,13)
InChIKeyBFJJPNVORUMDJK-UHFFFAOYSA-N
MW203.27 g/mol
LogP1.89
Rot. Bonds

About 4,5-dihydro-[1,3]thiazolo[4,5-f]isoquinolin-2-amine

4,5-dihydro-[1,3]thiazolo[4,5-f]isoquinolin-2-amine (PubChem CID 15065266) has the molecular formula C10H9N3S and a molecular weight of 203.27 g/mol. Its IUPAC name is 4,5-dihydro-[1,3]thiazolo[4,5-f]isoquinolin-2-amine.

Molecular Properties

Compound Name4,5-dihydro-[1,3]thiazolo[4,5-f]isoquinolin-2-amine
PubChem CID15065266
Molecular FormulaC10H9N3S
Molecular Weight203.27 g/mol
Exact Mass203.05
IUPAC Name4,5-dihydro-[1,3]thiazolo[4,5-f]isoquinolin-2-amine
SMILESNc1nc2c(s1)CCc1cnccc1-2
InChIInChI=1S/C10H9N3S/c11-10-13-9-7-3-4-12-5-6(7)1-2-8(9)14-10/h3-5H,1-2H2,(H2,11,13)
InChIKeyBFJJPNVORUMDJK-UHFFFAOYSA-N
XLogP1.89
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-dihydro-[1,3]thiazolo[4,5-f]isoquinolin-2-amine?
The IUPAC name of 4,5-dihydro-[1,3]thiazolo[4,5-f]isoquinolin-2-amine (CID 15065266) is 4,5-dihydro-[1,3]thiazolo[4,5-f]isoquinolin-2-amine.
What is the SMILES notation for 4,5-dihydro-[1,3]thiazolo[4,5-f]isoquinolin-2-amine?
The canonical SMILES for 4,5-dihydro-[1,3]thiazolo[4,5-f]isoquinolin-2-amine is Nc1nc2c(s1)CCc1cnccc1-2.
What is the InChIKey of 4,5-dihydro-[1,3]thiazolo[4,5-f]isoquinolin-2-amine?
The InChIKey is BFJJPNVORUMDJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3S/c11-10-13-9-7-3-4-12-5-6(7)1-2-8(9)14-10/h3-5H,1-2H2,(H2,11,13).
What are the key properties of 4,5-dihydro-[1,3]thiazolo[4,5-f]isoquinolin-2-amine?
4,5-dihydro-[1,3]thiazolo[4,5-f]isoquinolin-2-amine has a molecular weight of 203.27 g/mol, XLogP of 1.89, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydro-[1,3]thiazolo[4,5-f]isoquinolin-2-amine is sourced from PubChem (CID 15065266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).