2-bromo-5-(piperidin-4-ylmethyl)-4H-[1,3]thiazolo[5,4-c]quinoline

C16H18BrN3S — CID 156632947

IUPAC2-bromo-5-(piperidin-4-ylmethyl)-4H-[1,3]thiazolo[5,4-c]quinoline
SMILESBrc1nc2c(s1)CN(CC1CCNCC1)c1ccccc1-2
InChIInChI=1S/C16H18BrN3S/c17-16-19-15-12-3-1-2-4-13(12)20(10-14(15)21-16)9-11-5-7-18-8-6-11/h1-4,11,18H,5-10H2
InChIKeyYFKBSFXSHPGMJN-UHFFFAOYSA-N
MW364.31 g/mol
LogP3.89
Rot. Bonds2

About 2-bromo-5-(piperidin-4-ylmethyl)-4H-[1,3]thiazolo[5,4-c]quinoline

2-bromo-5-(piperidin-4-ylmethyl)-4H-[1,3]thiazolo[5,4-c]quinoline (PubChem CID 156632947) has the molecular formula C16H18BrN3S and a molecular weight of 364.31 g/mol. Its IUPAC name is 2-bromo-5-(piperidin-4-ylmethyl)-4H-[1,3]thiazolo[5,4-c]quinoline.

Molecular Properties

Compound Name2-bromo-5-(piperidin-4-ylmethyl)-4H-[1,3]thiazolo[5,4-c]quinoline
PubChem CID156632947
Molecular FormulaC16H18BrN3S
Molecular Weight364.31 g/mol
Exact Mass363.04
IUPAC Name2-bromo-5-(piperidin-4-ylmethyl)-4H-[1,3]thiazolo[5,4-c]quinoline
SMILESBrc1nc2c(s1)CN(CC1CCNCC1)c1ccccc1-2
InChIInChI=1S/C16H18BrN3S/c17-16-19-15-12-3-1-2-4-13(12)20(10-14(15)21-16)9-11-5-7-18-8-6-11/h1-4,11,18H,5-10H2
InChIKeyYFKBSFXSHPGMJN-UHFFFAOYSA-N
XLogP3.89
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.31
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-bromo-5-(piperidin-4-ylmethyl)-4H-[1,3]thiazolo[5,4-c]quinoline 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 2-bromo-5-(piperidin-4-ylmethyl)-4H-[1,3]thiazolo[5,4-c]quinoline?
The IUPAC name of 2-bromo-5-(piperidin-4-ylmethyl)-4H-[1,3]thiazolo[5,4-c]quinoline (CID 156632947) is 2-bromo-5-(piperidin-4-ylmethyl)-4H-[1,3]thiazolo[5,4-c]quinoline.
What is the SMILES notation for 2-bromo-5-(piperidin-4-ylmethyl)-4H-[1,3]thiazolo[5,4-c]quinoline?
The canonical SMILES for 2-bromo-5-(piperidin-4-ylmethyl)-4H-[1,3]thiazolo[5,4-c]quinoline is Brc1nc2c(s1)CN(CC1CCNCC1)c1ccccc1-2.
What is the InChIKey of 2-bromo-5-(piperidin-4-ylmethyl)-4H-[1,3]thiazolo[5,4-c]quinoline?
The InChIKey is YFKBSFXSHPGMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3S/c17-16-19-15-12-3-1-2-4-13(12)20(10-14(15)21-16)9-11-5-7-18-8-6-11/h1-4,11,18H,5-10H2.
What are the key properties of 2-bromo-5-(piperidin-4-ylmethyl)-4H-[1,3]thiazolo[5,4-c]quinoline?
2-bromo-5-(piperidin-4-ylmethyl)-4H-[1,3]thiazolo[5,4-c]quinoline has a molecular weight of 364.31 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(piperidin-4-ylmethyl)-4H-[1,3]thiazolo[5,4-c]quinoline is sourced from PubChem (CID 156632947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).