2-amino-5-benzyl-1,3-thiazol-4-one

C10H10N2OS — CID 2729442

IUPAC2-amino-5-benzyl-1,3-thiazol-4-one
SMILESNC1=NC(=O)C(Cc2ccccc2)S1
InChIInChI=1S/C10H10N2OS/c11-10-12-9(13)8(14-10)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H2,11,12,13)
InChIKeyROFCBCGLJWSTNB-UHFFFAOYSA-N
MW206.27 g/mol
LogP1.19
Rot. Bonds2

About 2-amino-5-benzyl-1,3-thiazol-4-one

2-amino-5-benzyl-1,3-thiazol-4-one (PubChem CID 2729442) has the molecular formula C10H10N2OS and a molecular weight of 206.27 g/mol. Its IUPAC name is 2-amino-5-benzyl-1,3-thiazol-4-one.

Molecular Properties

Compound Name2-amino-5-benzyl-1,3-thiazol-4-one
PubChem CID2729442
Molecular FormulaC10H10N2OS
Molecular Weight206.27 g/mol
Exact Mass206.05
IUPAC Name2-amino-5-benzyl-1,3-thiazol-4-one
SMILESNC1=NC(=O)C(Cc2ccccc2)S1
InChIInChI=1S/C10H10N2OS/c11-10-12-9(13)8(14-10)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H2,11,12,13)
InChIKeyROFCBCGLJWSTNB-UHFFFAOYSA-N
XLogP1.19
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-benzyl-1,3-thiazol-4-one?
The IUPAC name of 2-amino-5-benzyl-1,3-thiazol-4-one (CID 2729442) is 2-amino-5-benzyl-1,3-thiazol-4-one.
What is the SMILES notation for 2-amino-5-benzyl-1,3-thiazol-4-one?
The canonical SMILES for 2-amino-5-benzyl-1,3-thiazol-4-one is NC1=NC(=O)C(Cc2ccccc2)S1.
What is the InChIKey of 2-amino-5-benzyl-1,3-thiazol-4-one?
The InChIKey is ROFCBCGLJWSTNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2OS/c11-10-12-9(13)8(14-10)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H2,11,12,13).
What are the key properties of 2-amino-5-benzyl-1,3-thiazol-4-one?
2-amino-5-benzyl-1,3-thiazol-4-one has a molecular weight of 206.27 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-benzyl-1,3-thiazol-4-one is sourced from PubChem (CID 2729442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).