(2R)-2-[(4-bromophenyl)methyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one

C12H11BrN2OS — CID 51860472

IUPAC(2R)-2-[(4-bromophenyl)methyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one
SMILESO=C1[C@@H](Cc2ccc(Br)cc2)SC2=NCCN12
InChIInChI=1S/C12H11BrN2OS/c13-9-3-1-8(2-4-9)7-10-11(16)15-6-5-14-12(15)17-10/h1-4,10H,5-7H2/t10-/m1/s1
InChIKeyKEGJVXUAAPUCLW-SNVBAGLBSA-N
MW311.20 g/mol
LogP2.31
Rot. Bonds2

About (2R)-2-[(4-bromophenyl)methyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one

(2R)-2-[(4-bromophenyl)methyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one (PubChem CID 51860472) has the molecular formula C12H11BrN2OS and a molecular weight of 311.20 g/mol. Its IUPAC name is (2R)-2-[(4-bromophenyl)methyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one.

Molecular Properties

Compound Name(2R)-2-[(4-bromophenyl)methyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one
PubChem CID51860472
Molecular FormulaC12H11BrN2OS
Molecular Weight311.20 g/mol
Exact Mass309.98
IUPAC Name(2R)-2-[(4-bromophenyl)methyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one
SMILESO=C1[C@@H](Cc2ccc(Br)cc2)SC2=NCCN12
InChIInChI=1S/C12H11BrN2OS/c13-9-3-1-8(2-4-9)7-10-11(16)15-6-5-14-12(15)17-10/h1-4,10H,5-7H2/t10-/m1/s1
InChIKeyKEGJVXUAAPUCLW-SNVBAGLBSA-N
XLogP2.31
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.20
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-bromophenyl)methyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one?
The IUPAC name of (2R)-2-[(4-bromophenyl)methyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one (CID 51860472) is (2R)-2-[(4-bromophenyl)methyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one.
What is the SMILES notation for (2R)-2-[(4-bromophenyl)methyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one?
The canonical SMILES for (2R)-2-[(4-bromophenyl)methyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one is O=C1[C@@H](Cc2ccc(Br)cc2)SC2=NCCN12.
What is the InChIKey of (2R)-2-[(4-bromophenyl)methyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one?
The InChIKey is KEGJVXUAAPUCLW-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H11BrN2OS/c13-9-3-1-8(2-4-9)7-10-11(16)15-6-5-14-12(15)17-10/h1-4,10H,5-7H2/t10-/m1/s1.
What are the key properties of (2R)-2-[(4-bromophenyl)methyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one?
(2R)-2-[(4-bromophenyl)methyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one has a molecular weight of 311.20 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-bromophenyl)methyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one is sourced from PubChem (CID 51860472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).