2-amino-5-[(4-bromophenyl)methyl]-1,3-thiazol-4-one

C10H9BrN2OS — CID 2872777

IUPAC2-amino-5-[(4-bromophenyl)methyl]-1,3-thiazol-4-one
SMILESNC1=NC(=O)C(Cc2ccc(Br)cc2)S1
InChIInChI=1S/C10H9BrN2OS/c11-7-3-1-6(2-4-7)5-8-9(14)13-10(12)15-8/h1-4,8H,5H2,(H2,12,13,14)
InChIKeyGDTQOJHAJBXMMK-UHFFFAOYSA-N
MW285.17 g/mol
LogP1.95
Rot. Bonds2

About 2-amino-5-[(4-bromophenyl)methyl]-1,3-thiazol-4-one

2-amino-5-[(4-bromophenyl)methyl]-1,3-thiazol-4-one (PubChem CID 2872777) has the molecular formula C10H9BrN2OS and a molecular weight of 285.17 g/mol. Its IUPAC name is 2-amino-5-[(4-bromophenyl)methyl]-1,3-thiazol-4-one.

Molecular Properties

Compound Name2-amino-5-[(4-bromophenyl)methyl]-1,3-thiazol-4-one
PubChem CID2872777
Molecular FormulaC10H9BrN2OS
Molecular Weight285.17 g/mol
Exact Mass283.96
IUPAC Name2-amino-5-[(4-bromophenyl)methyl]-1,3-thiazol-4-one
SMILESNC1=NC(=O)C(Cc2ccc(Br)cc2)S1
InChIInChI=1S/C10H9BrN2OS/c11-7-3-1-6(2-4-7)5-8-9(14)13-10(12)15-8/h1-4,8H,5H2,(H2,12,13,14)
InChIKeyGDTQOJHAJBXMMK-UHFFFAOYSA-N
XLogP1.95
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.17
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[(4-bromophenyl)methyl]-1,3-thiazol-4-one?
The IUPAC name of 2-amino-5-[(4-bromophenyl)methyl]-1,3-thiazol-4-one (CID 2872777) is 2-amino-5-[(4-bromophenyl)methyl]-1,3-thiazol-4-one.
What is the SMILES notation for 2-amino-5-[(4-bromophenyl)methyl]-1,3-thiazol-4-one?
The canonical SMILES for 2-amino-5-[(4-bromophenyl)methyl]-1,3-thiazol-4-one is NC1=NC(=O)C(Cc2ccc(Br)cc2)S1.
What is the InChIKey of 2-amino-5-[(4-bromophenyl)methyl]-1,3-thiazol-4-one?
The InChIKey is GDTQOJHAJBXMMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2OS/c11-7-3-1-6(2-4-7)5-8-9(14)13-10(12)15-8/h1-4,8H,5H2,(H2,12,13,14).
What are the key properties of 2-amino-5-[(4-bromophenyl)methyl]-1,3-thiazol-4-one?
2-amino-5-[(4-bromophenyl)methyl]-1,3-thiazol-4-one has a molecular weight of 285.17 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[(4-bromophenyl)methyl]-1,3-thiazol-4-one is sourced from PubChem (CID 2872777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).