5-bromo-2-[5-(2-methylanilino)imidazo[2,1-b][1,3]thiazol-6-yl]phenol

C18H14BrN3OS — CID 15988946

IUPAC5-bromo-2-[5-(2-methylanilino)imidazo[2,1-b][1,3]thiazol-6-yl]phenol
SMILESCc1ccccc1Nc1c(-c2ccc(Br)cc2O)nc2sccn12
InChIInChI=1S/C18H14BrN3OS/c1-11-4-2-3-5-14(11)20-17-16(21-18-22(17)8-9-24-18)13-7-6-12(19)10-15(13)23/h2-10,20,23H,1H3
InChIKeyAPOWOOUBHQIDMK-UHFFFAOYSA-N
MW400.30 g/mol
LogP5.58
Rot. Bonds3

About 5-bromo-2-[5-(2-methylanilino)imidazo[2,1-b][1,3]thiazol-6-yl]phenol

5-bromo-2-[5-(2-methylanilino)imidazo[2,1-b][1,3]thiazol-6-yl]phenol (PubChem CID 15988946) has the molecular formula C18H14BrN3OS and a molecular weight of 400.30 g/mol. Its IUPAC name is 5-bromo-2-[5-(2-methylanilino)imidazo[2,1-b][1,3]thiazol-6-yl]phenol.

Molecular Properties

Compound Name5-bromo-2-[5-(2-methylanilino)imidazo[2,1-b][1,3]thiazol-6-yl]phenol
PubChem CID15988946
Molecular FormulaC18H14BrN3OS
Molecular Weight400.30 g/mol
Exact Mass399.00
IUPAC Name5-bromo-2-[5-(2-methylanilino)imidazo[2,1-b][1,3]thiazol-6-yl]phenol
SMILESCc1ccccc1Nc1c(-c2ccc(Br)cc2O)nc2sccn12
InChIInChI=1S/C18H14BrN3OS/c1-11-4-2-3-5-14(11)20-17-16(21-18-22(17)8-9-24-18)13-7-6-12(19)10-15(13)23/h2-10,20,23H,1H3
InChIKeyAPOWOOUBHQIDMK-UHFFFAOYSA-N
XLogP5.58
TPSA49.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.30
LogP ≤ 55.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[5-(2-methylanilino)imidazo[2,1-b][1,3]thiazol-6-yl]phenol?
The IUPAC name of 5-bromo-2-[5-(2-methylanilino)imidazo[2,1-b][1,3]thiazol-6-yl]phenol (CID 15988946) is 5-bromo-2-[5-(2-methylanilino)imidazo[2,1-b][1,3]thiazol-6-yl]phenol.
What is the SMILES notation for 5-bromo-2-[5-(2-methylanilino)imidazo[2,1-b][1,3]thiazol-6-yl]phenol?
The canonical SMILES for 5-bromo-2-[5-(2-methylanilino)imidazo[2,1-b][1,3]thiazol-6-yl]phenol is Cc1ccccc1Nc1c(-c2ccc(Br)cc2O)nc2sccn12.
What is the InChIKey of 5-bromo-2-[5-(2-methylanilino)imidazo[2,1-b][1,3]thiazol-6-yl]phenol?
The InChIKey is APOWOOUBHQIDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrN3OS/c1-11-4-2-3-5-14(11)20-17-16(21-18-22(17)8-9-24-18)13-7-6-12(19)10-15(13)23/h2-10,20,23H,1H3.
What are the key properties of 5-bromo-2-[5-(2-methylanilino)imidazo[2,1-b][1,3]thiazol-6-yl]phenol?
5-bromo-2-[5-(2-methylanilino)imidazo[2,1-b][1,3]thiazol-6-yl]phenol has a molecular weight of 400.30 g/mol, XLogP of 5.58, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[5-(2-methylanilino)imidazo[2,1-b][1,3]thiazol-6-yl]phenol is sourced from PubChem (CID 15988946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).