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

C14H13BrClN3OS — CID 63803299

IUPAC1-[6-(2-bromo-4-chlorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]propan-2-amine
SMILESCC(N)Cc1c(Oc2ccc(Cl)cc2Br)nc2sccn12
InChIInChI=1S/C14H13BrClN3OS/c1-8(17)6-11-13(18-14-19(11)4-5-21-14)20-12-3-2-9(16)7-10(12)15/h2-5,7-8H,6,17H2,1H3
InChIKeyQBZDNTGSNVTZAJ-UHFFFAOYSA-N
MW386.70 g/mol
LogP4.49
Rot. Bonds4

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

1-[6-(2-bromo-4-chlorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]propan-2-amine (PubChem CID 63803299) has the molecular formula C14H13BrClN3OS and a molecular weight of 386.70 g/mol. Its IUPAC name is 1-[6-(2-bromo-4-chlorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]propan-2-amine.

Molecular Properties

Compound Name1-[6-(2-bromo-4-chlorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]propan-2-amine
PubChem CID63803299
Molecular FormulaC14H13BrClN3OS
Molecular Weight386.70 g/mol
Exact Mass384.97
IUPAC Name1-[6-(2-bromo-4-chlorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]propan-2-amine
SMILESCC(N)Cc1c(Oc2ccc(Cl)cc2Br)nc2sccn12
InChIInChI=1S/C14H13BrClN3OS/c1-8(17)6-11-13(18-14-19(11)4-5-21-14)20-12-3-2-9(16)7-10(12)15/h2-5,7-8H,6,17H2,1H3
InChIKeyQBZDNTGSNVTZAJ-UHFFFAOYSA-N
XLogP4.49
TPSA52.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.70
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-bromo-4-chlorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]propan-2-amine?
The IUPAC name of 1-[6-(2-bromo-4-chlorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]propan-2-amine (CID 63803299) is 1-[6-(2-bromo-4-chlorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]propan-2-amine.
What is the SMILES notation for 1-[6-(2-bromo-4-chlorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]propan-2-amine?
The canonical SMILES for 1-[6-(2-bromo-4-chlorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]propan-2-amine is CC(N)Cc1c(Oc2ccc(Cl)cc2Br)nc2sccn12.
What is the InChIKey of 1-[6-(2-bromo-4-chlorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]propan-2-amine?
The InChIKey is QBZDNTGSNVTZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClN3OS/c1-8(17)6-11-13(18-14-19(11)4-5-21-14)20-12-3-2-9(16)7-10(12)15/h2-5,7-8H,6,17H2,1H3.
What are the key properties of 1-[6-(2-bromo-4-chlorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]propan-2-amine?
1-[6-(2-bromo-4-chlorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]propan-2-amine has a molecular weight of 386.70 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-bromo-4-chlorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]propan-2-amine is sourced from PubChem (CID 63803299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).