2-azido-N-(2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-yl)acetamide

C15H14N6OS — CID 71550995

IUPAC2-azido-N-(2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-yl)acetamide
SMILESCCCc1nc2c(NC(=O)CN=[N+]=[N-])nc3ccccc3c2s1
InChIInChI=1S/C15H14N6OS/c1-2-5-12-20-13-14(23-12)9-6-3-4-7-10(9)18-15(13)19-11(22)8-17-21-16/h3-4,6-7H,2,5,8H2,1H3,(H,18,19,22)
InChIKeyHUZXKLUTGNICEM-UHFFFAOYSA-N
MW326.39 g/mol
LogP4.05
Rot. Bonds5

About 2-azido-N-(2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-yl)acetamide

2-azido-N-(2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-yl)acetamide (PubChem CID 71550995) has the molecular formula C15H14N6OS and a molecular weight of 326.39 g/mol. Its IUPAC name is 2-azido-N-(2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-yl)acetamide.

Molecular Properties

Compound Name2-azido-N-(2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-yl)acetamide
PubChem CID71550995
Molecular FormulaC15H14N6OS
Molecular Weight326.39 g/mol
Exact Mass326.09
IUPAC Name2-azido-N-(2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-yl)acetamide
SMILESCCCc1nc2c(NC(=O)CN=[N+]=[N-])nc3ccccc3c2s1
InChIInChI=1S/C15H14N6OS/c1-2-5-12-20-13-14(23-12)9-6-3-4-7-10(9)18-15(13)19-11(22)8-17-21-16/h3-4,6-7H,2,5,8H2,1H3,(H,18,19,22)
InChIKeyHUZXKLUTGNICEM-UHFFFAOYSA-N
XLogP4.05
TPSA103.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 54.05
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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Frequently Asked Questions

What is the IUPAC name of 2-azido-N-(2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-yl)acetamide?
The IUPAC name of 2-azido-N-(2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-yl)acetamide (CID 71550995) is 2-azido-N-(2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-yl)acetamide.
What is the SMILES notation for 2-azido-N-(2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-yl)acetamide?
The canonical SMILES for 2-azido-N-(2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-yl)acetamide is CCCc1nc2c(NC(=O)CN=[N+]=[N-])nc3ccccc3c2s1.
What is the InChIKey of 2-azido-N-(2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-yl)acetamide?
The InChIKey is HUZXKLUTGNICEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6OS/c1-2-5-12-20-13-14(23-12)9-6-3-4-7-10(9)18-15(13)19-11(22)8-17-21-16/h3-4,6-7H,2,5,8H2,1H3,(H,18,19,22).
What are the key properties of 2-azido-N-(2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-yl)acetamide?
2-azido-N-(2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-yl)acetamide has a molecular weight of 326.39 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-N-(2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-yl)acetamide is sourced from PubChem (CID 71550995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).