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

C12H11BrN4S2 — CID 34394701

IUPAC5-bromo-3-methyl-6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole
SMILESCc1ccnc(SCc2nc3scc(C)n3c2Br)n1
InChIInChI=1S/C12H11BrN4S2/c1-7-3-4-14-11(15-7)18-6-9-10(13)17-8(2)5-19-12(17)16-9/h3-5H,6H2,1-2H3
InChIKeyVVBASDNVYOTQOP-UHFFFAOYSA-N
MW355.29 g/mol
LogP3.86
Rot. Bonds3

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

5-bromo-3-methyl-6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole (PubChem CID 34394701) has the molecular formula C12H11BrN4S2 and a molecular weight of 355.29 g/mol. Its IUPAC name is 5-bromo-3-methyl-6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name5-bromo-3-methyl-6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole
PubChem CID34394701
Molecular FormulaC12H11BrN4S2
Molecular Weight355.29 g/mol
Exact Mass353.96
IUPAC Name5-bromo-3-methyl-6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole
SMILESCc1ccnc(SCc2nc3scc(C)n3c2Br)n1
InChIInChI=1S/C12H11BrN4S2/c1-7-3-4-14-11(15-7)18-6-9-10(13)17-8(2)5-19-12(17)16-9/h3-5H,6H2,1-2H3
InChIKeyVVBASDNVYOTQOP-UHFFFAOYSA-N
XLogP3.86
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.29
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-methyl-6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 5-bromo-3-methyl-6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole (CID 34394701) is 5-bromo-3-methyl-6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 5-bromo-3-methyl-6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 5-bromo-3-methyl-6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole is Cc1ccnc(SCc2nc3scc(C)n3c2Br)n1.
What is the InChIKey of 5-bromo-3-methyl-6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole?
The InChIKey is VVBASDNVYOTQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN4S2/c1-7-3-4-14-11(15-7)18-6-9-10(13)17-8(2)5-19-12(17)16-9/h3-5H,6H2,1-2H3.
What are the key properties of 5-bromo-3-methyl-6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole?
5-bromo-3-methyl-6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole has a molecular weight of 355.29 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-methyl-6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 34394701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).