8-azido-2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-amine

C13H12N6S — CID 71551695

IUPAC8-azido-2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-amine
SMILESCCCc1nc2c(N)nc3ccc(N=[N+]=[N-])cc3c2s1
InChIInChI=1S/C13H12N6S/c1-2-3-10-17-11-12(20-10)8-6-7(18-19-15)4-5-9(8)16-13(11)14/h4-6H,2-3H2,1H3,(H2,14,16)
InChIKeyYAJCXEODRRPPSM-UHFFFAOYSA-N
MW284.35 g/mol
LogP4.32
Rot. Bonds3

About 8-azido-2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-amine

8-azido-2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-amine (PubChem CID 71551695) has the molecular formula C13H12N6S and a molecular weight of 284.35 g/mol. Its IUPAC name is 8-azido-2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-amine.

Molecular Properties

Compound Name8-azido-2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-amine
PubChem CID71551695
Molecular FormulaC13H12N6S
Molecular Weight284.35 g/mol
Exact Mass284.08
IUPAC Name8-azido-2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-amine
SMILESCCCc1nc2c(N)nc3ccc(N=[N+]=[N-])cc3c2s1
InChIInChI=1S/C13H12N6S/c1-2-3-10-17-11-12(20-10)8-6-7(18-19-15)4-5-9(8)16-13(11)14/h4-6H,2-3H2,1H3,(H2,14,16)
InChIKeyYAJCXEODRRPPSM-UHFFFAOYSA-N
XLogP4.32
TPSA100.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

3M-002
CID 10198719
2-N-[3-(diethylamino)propyl]-9-N-phenyl-[1,3]thiazolo[5,4-b]quinoline-2,9-diamine
CID 44574762
2-Methylthiazolo[4,5-c]quinolin-4-amine
CID 9815783
2-(2-Methylpropyl)-[1,3]thiazolo[4,5-c]quinolin-4-amine
CID 9816562
2-Butyl-[1,3]thiazolo[4,5-c]quinolin-4-amine
CID 9838014
2-Pentylthiazolo[4,5-c]quinolin-4-amine
CID 9838345
2-Ethylthiazolo[4,5-c]quinolin-4-amine
CID 9964620
2-Propan-2-yl-[1,3]thiazolo[4,5-c]quinolin-4-amine
CID 10220461
2-Propylthiazolo[4,5-c]quinolin-4,8-diamine
CID 11644588
2-Phenyl-[1,3]thiazolo[3,2-a]quinolin-10-ium-1-amine
CID 4576978
N2-(2-(diethylamino)ethyl)-N9-phenylthiazolo[5,4-b]quinoline-2,9-diamine
CID 10318315
2-azido-N-(2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-yl)acetamide
CID 71550995

Frequently Asked Questions

What is the IUPAC name of 8-azido-2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-amine?
The IUPAC name of 8-azido-2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-amine (CID 71551695) is 8-azido-2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-amine.
What is the SMILES notation for 8-azido-2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-amine?
The canonical SMILES for 8-azido-2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-amine is CCCc1nc2c(N)nc3ccc(N=[N+]=[N-])cc3c2s1.
What is the InChIKey of 8-azido-2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-amine?
The InChIKey is YAJCXEODRRPPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6S/c1-2-3-10-17-11-12(20-10)8-6-7(18-19-15)4-5-9(8)16-13(11)14/h4-6H,2-3H2,1H3,(H2,14,16).
What are the key properties of 8-azido-2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-amine?
8-azido-2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-amine has a molecular weight of 284.35 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-azido-2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-amine is sourced from PubChem (CID 71551695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).