5-bromo-6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole

C11H9BrN4S2 — CID 34394694

IUPAC5-bromo-6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole
SMILESCc1ccnc(SCc2nc3sccn3c2Br)n1
InChIInChI=1S/C11H9BrN4S2/c1-7-2-3-13-10(14-7)18-6-8-9(12)16-4-5-17-11(16)15-8/h2-5H,6H2,1H3
InChIKeyXISWOKPWVKBUFC-UHFFFAOYSA-N
MW341.26 g/mol
LogP3.55
Rot. Bonds3

About 5-bromo-6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole

5-bromo-6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole (PubChem CID 34394694) has the molecular formula C11H9BrN4S2 and a molecular weight of 341.26 g/mol. Its IUPAC name is 5-bromo-6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name5-bromo-6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole
PubChem CID34394694
Molecular FormulaC11H9BrN4S2
Molecular Weight341.26 g/mol
Exact Mass339.95
IUPAC Name5-bromo-6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole
SMILESCc1ccnc(SCc2nc3sccn3c2Br)n1
InChIInChI=1S/C11H9BrN4S2/c1-7-2-3-13-10(14-7)18-6-8-9(12)16-4-5-17-11(16)15-8/h2-5H,6H2,1H3
InChIKeyXISWOKPWVKBUFC-UHFFFAOYSA-N
XLogP3.55
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.26
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 5-bromo-6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole (CID 34394694) is 5-bromo-6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 5-bromo-6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 5-bromo-6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole is Cc1ccnc(SCc2nc3sccn3c2Br)n1.
What is the InChIKey of 5-bromo-6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole?
The InChIKey is XISWOKPWVKBUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN4S2/c1-7-2-3-13-10(14-7)18-6-8-9(12)16-4-5-17-11(16)15-8/h2-5H,6H2,1H3.
What are the key properties of 5-bromo-6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole?
5-bromo-6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole has a molecular weight of 341.26 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 34394694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).