1-[6-(4-bromo-3-methylphenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]propan-2-amine

C15H16BrN3OS — CID 83135479

IUPAC1-[6-(4-bromo-3-methylphenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]propan-2-amine
SMILESCc1cc(Oc2nc3sccn3c2CC(C)N)ccc1Br
InChIInChI=1S/C15H16BrN3OS/c1-9-7-11(3-4-12(9)16)20-14-13(8-10(2)17)19-5-6-21-15(19)18-14/h3-7,10H,8,17H2,1-2H3
InChIKeyCVNBJGWIKZFEQT-UHFFFAOYSA-N
MW366.28 g/mol
LogP4.15
Rot. Bonds4

About 1-[6-(4-bromo-3-methylphenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]propan-2-amine

1-[6-(4-bromo-3-methylphenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]propan-2-amine (PubChem CID 83135479) has the molecular formula C15H16BrN3OS and a molecular weight of 366.28 g/mol. Its IUPAC name is 1-[6-(4-bromo-3-methylphenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]propan-2-amine.

Molecular Properties

Compound Name1-[6-(4-bromo-3-methylphenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]propan-2-amine
PubChem CID83135479
Molecular FormulaC15H16BrN3OS
Molecular Weight366.28 g/mol
Exact Mass365.02
IUPAC Name1-[6-(4-bromo-3-methylphenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]propan-2-amine
SMILESCc1cc(Oc2nc3sccn3c2CC(C)N)ccc1Br
InChIInChI=1S/C15H16BrN3OS/c1-9-7-11(3-4-12(9)16)20-14-13(8-10(2)17)19-5-6-21-15(19)18-14/h3-7,10H,8,17H2,1-2H3
InChIKeyCVNBJGWIKZFEQT-UHFFFAOYSA-N
XLogP4.15
TPSA52.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.28
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-bromo-3-methylphenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]propan-2-amine?
The IUPAC name of 1-[6-(4-bromo-3-methylphenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]propan-2-amine (CID 83135479) is 1-[6-(4-bromo-3-methylphenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]propan-2-amine.
What is the SMILES notation for 1-[6-(4-bromo-3-methylphenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]propan-2-amine?
The canonical SMILES for 1-[6-(4-bromo-3-methylphenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]propan-2-amine is Cc1cc(Oc2nc3sccn3c2CC(C)N)ccc1Br.
What is the InChIKey of 1-[6-(4-bromo-3-methylphenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]propan-2-amine?
The InChIKey is CVNBJGWIKZFEQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3OS/c1-9-7-11(3-4-12(9)16)20-14-13(8-10(2)17)19-5-6-21-15(19)18-14/h3-7,10H,8,17H2,1-2H3.
What are the key properties of 1-[6-(4-bromo-3-methylphenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]propan-2-amine?
1-[6-(4-bromo-3-methylphenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]propan-2-amine has a molecular weight of 366.28 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-bromo-3-methylphenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]propan-2-amine is sourced from PubChem (CID 83135479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).