6-propyl-5,5a-dihydro-4H-[1,3]thiazolo[4,5-f]quinolin-2-amine;hydroiodide

C13H18IN3S — CID 173403028

IUPAC6-propyl-5,5a-dihydro-4H-[1,3]thiazolo[4,5-f]quinolin-2-amine;hydroiodide
SMILESCCCN1C=CC=C2c3nc(N)sc3CCC21.I
InChIInChI=1S/C13H17N3S.HI/c1-2-7-16-8-3-4-9-10(16)5-6-11-12(9)15-13(14)17-11;/h3-4,8,10H,2,5-7H2,1H3,(H2,14,15);1H
InChIKeyPKCRBUVALXYMEL-UHFFFAOYSA-N
MW375.28 g/mol
LogP3.28
Rot. Bonds2

About 6-propyl-5,5a-dihydro-4H-[1,3]thiazolo[4,5-f]quinolin-2-amine;hydroiodide

6-propyl-5,5a-dihydro-4H-[1,3]thiazolo[4,5-f]quinolin-2-amine;hydroiodide (PubChem CID 173403028) has the molecular formula C13H18IN3S and a molecular weight of 375.28 g/mol. Its IUPAC name is 6-propyl-5,5a-dihydro-4H-[1,3]thiazolo[4,5-f]quinolin-2-amine;hydroiodide.

Molecular Properties

Compound Name6-propyl-5,5a-dihydro-4H-[1,3]thiazolo[4,5-f]quinolin-2-amine;hydroiodide
PubChem CID173403028
Molecular FormulaC13H18IN3S
Molecular Weight375.28 g/mol
Exact Mass375.03
IUPAC Name6-propyl-5,5a-dihydro-4H-[1,3]thiazolo[4,5-f]quinolin-2-amine;hydroiodide
SMILESCCCN1C=CC=C2c3nc(N)sc3CCC21.I
InChIInChI=1S/C13H17N3S.HI/c1-2-7-16-8-3-4-9-10(16)5-6-11-12(9)15-13(14)17-11;/h3-4,8,10H,2,5-7H2,1H3,(H2,14,15);1H
InChIKeyPKCRBUVALXYMEL-UHFFFAOYSA-N
XLogP3.28
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.28
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-propyl-5,5a-dihydro-4H-[1,3]thiazolo[4,5-f]quinolin-2-amine;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-propyl-5,5a-dihydro-4H-[1,3]thiazolo[4,5-f]quinolin-2-amine;hydroiodide?
The IUPAC name of 6-propyl-5,5a-dihydro-4H-[1,3]thiazolo[4,5-f]quinolin-2-amine;hydroiodide (CID 173403028) is 6-propyl-5,5a-dihydro-4H-[1,3]thiazolo[4,5-f]quinolin-2-amine;hydroiodide.
What is the SMILES notation for 6-propyl-5,5a-dihydro-4H-[1,3]thiazolo[4,5-f]quinolin-2-amine;hydroiodide?
The canonical SMILES for 6-propyl-5,5a-dihydro-4H-[1,3]thiazolo[4,5-f]quinolin-2-amine;hydroiodide is CCCN1C=CC=C2c3nc(N)sc3CCC21.I.
What is the InChIKey of 6-propyl-5,5a-dihydro-4H-[1,3]thiazolo[4,5-f]quinolin-2-amine;hydroiodide?
The InChIKey is PKCRBUVALXYMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S.HI/c1-2-7-16-8-3-4-9-10(16)5-6-11-12(9)15-13(14)17-11;/h3-4,8,10H,2,5-7H2,1H3,(H2,14,15);1H.
What are the key properties of 6-propyl-5,5a-dihydro-4H-[1,3]thiazolo[4,5-f]quinolin-2-amine;hydroiodide?
6-propyl-5,5a-dihydro-4H-[1,3]thiazolo[4,5-f]quinolin-2-amine;hydroiodide has a molecular weight of 375.28 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propyl-5,5a-dihydro-4H-[1,3]thiazolo[4,5-f]quinolin-2-amine;hydroiodide is sourced from PubChem (CID 173403028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).