2-propyl-[1,3]thiazolo[4,5-c]quinoline-4,8-diamine

C13H14N4S — CID 11644588

IUPAC2-propyl-[1,3]thiazolo[4,5-c]quinoline-4,8-diamine
SMILESCCCc1nc2c(N)nc3ccc(N)cc3c2s1
InChIInChI=1S/C13H14N4S/c1-2-3-10-17-11-12(18-10)8-6-7(14)4-5-9(8)16-13(11)15/h4-6H,2-3,14H2,1H3,(H2,15,16)
InChIKeyCRWUJLHZQANQJV-UHFFFAOYSA-N
MW258.35 g/mol
LogP2.96
Rot. Bonds2

About 2-propyl-[1,3]thiazolo[4,5-c]quinoline-4,8-diamine

2-propyl-[1,3]thiazolo[4,5-c]quinoline-4,8-diamine (PubChem CID 11644588) has the molecular formula C13H14N4S and a molecular weight of 258.35 g/mol. Its IUPAC name is 2-propyl-[1,3]thiazolo[4,5-c]quinoline-4,8-diamine.

Molecular Properties

Compound Name2-propyl-[1,3]thiazolo[4,5-c]quinoline-4,8-diamine
PubChem CID11644588
Molecular FormulaC13H14N4S
Molecular Weight258.35 g/mol
Exact Mass258.09
IUPAC Name2-propyl-[1,3]thiazolo[4,5-c]quinoline-4,8-diamine
SMILESCCCc1nc2c(N)nc3ccc(N)cc3c2s1
InChIInChI=1S/C13H14N4S/c1-2-3-10-17-11-12(18-10)8-6-7(14)4-5-9(8)16-13(11)15/h4-6H,2-3,14H2,1H3,(H2,15,16)
InChIKeyCRWUJLHZQANQJV-UHFFFAOYSA-N
XLogP2.96
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-propyl-[1,3]thiazolo[4,5-c]quinoline-4,8-diamine?
The IUPAC name of 2-propyl-[1,3]thiazolo[4,5-c]quinoline-4,8-diamine (CID 11644588) is 2-propyl-[1,3]thiazolo[4,5-c]quinoline-4,8-diamine.
What is the SMILES notation for 2-propyl-[1,3]thiazolo[4,5-c]quinoline-4,8-diamine?
The canonical SMILES for 2-propyl-[1,3]thiazolo[4,5-c]quinoline-4,8-diamine is CCCc1nc2c(N)nc3ccc(N)cc3c2s1.
What is the InChIKey of 2-propyl-[1,3]thiazolo[4,5-c]quinoline-4,8-diamine?
The InChIKey is CRWUJLHZQANQJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4S/c1-2-3-10-17-11-12(18-10)8-6-7(14)4-5-9(8)16-13(11)15/h4-6H,2-3,14H2,1H3,(H2,15,16).
What are the key properties of 2-propyl-[1,3]thiazolo[4,5-c]quinoline-4,8-diamine?
2-propyl-[1,3]thiazolo[4,5-c]quinoline-4,8-diamine has a molecular weight of 258.35 g/mol, XLogP of 2.96, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-[1,3]thiazolo[4,5-c]quinoline-4,8-diamine is sourced from PubChem (CID 11644588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).