N-[(5-bromoquinolin-8-yl)-(1,3-thiazol-2-yl)methyl]propan-2-amine

C16H16BrN3S — CID 115959884

IUPACN-[(5-bromoquinolin-8-yl)-(1,3-thiazol-2-yl)methyl]propan-2-amine
SMILESCC(C)NC(c1nccs1)c1ccc(Br)c2cccnc12
InChIInChI=1S/C16H16BrN3S/c1-10(2)20-15(16-19-8-9-21-16)12-5-6-13(17)11-4-3-7-18-14(11)12/h3-10,15,20H,1-2H3
InChIKeyVTDOKPCQIFQDDI-UHFFFAOYSA-N
MW362.30 g/mol
LogP4.54
Rot. Bonds4

About N-[(5-bromoquinolin-8-yl)-(1,3-thiazol-2-yl)methyl]propan-2-amine

N-[(5-bromoquinolin-8-yl)-(1,3-thiazol-2-yl)methyl]propan-2-amine (PubChem CID 115959884) has the molecular formula C16H16BrN3S and a molecular weight of 362.30 g/mol. Its IUPAC name is N-[(5-bromoquinolin-8-yl)-(1,3-thiazol-2-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(5-bromoquinolin-8-yl)-(1,3-thiazol-2-yl)methyl]propan-2-amine
PubChem CID115959884
Molecular FormulaC16H16BrN3S
Molecular Weight362.30 g/mol
Exact Mass361.02
IUPAC NameN-[(5-bromoquinolin-8-yl)-(1,3-thiazol-2-yl)methyl]propan-2-amine
SMILESCC(C)NC(c1nccs1)c1ccc(Br)c2cccnc12
InChIInChI=1S/C16H16BrN3S/c1-10(2)20-15(16-19-8-9-21-16)12-5-6-13(17)11-4-3-7-18-14(11)12/h3-10,15,20H,1-2H3
InChIKeyVTDOKPCQIFQDDI-UHFFFAOYSA-N
XLogP4.54
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.30
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(5-bromoquinolin-8-yl)-(1,3-thiazol-2-yl)methyl]propan-2-amine 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 N-[(5-bromoquinolin-8-yl)-(1,3-thiazol-2-yl)methyl]propan-2-amine?
The IUPAC name of N-[(5-bromoquinolin-8-yl)-(1,3-thiazol-2-yl)methyl]propan-2-amine (CID 115959884) is N-[(5-bromoquinolin-8-yl)-(1,3-thiazol-2-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(5-bromoquinolin-8-yl)-(1,3-thiazol-2-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(5-bromoquinolin-8-yl)-(1,3-thiazol-2-yl)methyl]propan-2-amine is CC(C)NC(c1nccs1)c1ccc(Br)c2cccnc12.
What is the InChIKey of N-[(5-bromoquinolin-8-yl)-(1,3-thiazol-2-yl)methyl]propan-2-amine?
The InChIKey is VTDOKPCQIFQDDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3S/c1-10(2)20-15(16-19-8-9-21-16)12-5-6-13(17)11-4-3-7-18-14(11)12/h3-10,15,20H,1-2H3.
What are the key properties of N-[(5-bromoquinolin-8-yl)-(1,3-thiazol-2-yl)methyl]propan-2-amine?
N-[(5-bromoquinolin-8-yl)-(1,3-thiazol-2-yl)methyl]propan-2-amine has a molecular weight of 362.30 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromoquinolin-8-yl)-(1,3-thiazol-2-yl)methyl]propan-2-amine is sourced from PubChem (CID 115959884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).