1-[4-[(2-amino-1,3-thiazol-5-yl)methyl]phenyl]ethanone

C12H12N2OS — CID 2145539

IUPAC1-[4-[(2-amino-1,3-thiazol-5-yl)methyl]phenyl]ethanone
SMILESCC(=O)c1ccc(Cc2cnc(N)s2)cc1
InChIInChI=1S/C12H12N2OS/c1-8(15)10-4-2-9(3-5-10)6-11-7-14-12(13)16-11/h2-5,7H,6H2,1H3,(H2,13,14)
InChIKeyQILUUSGYHLELNJ-UHFFFAOYSA-N
MW232.31 g/mol
LogP2.52
Rot. Bonds3

About 1-[4-[(2-amino-1,3-thiazol-5-yl)methyl]phenyl]ethanone

1-[4-[(2-amino-1,3-thiazol-5-yl)methyl]phenyl]ethanone (PubChem CID 2145539) has the molecular formula C12H12N2OS and a molecular weight of 232.31 g/mol. Its IUPAC name is 1-[4-[(2-amino-1,3-thiazol-5-yl)methyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[(2-amino-1,3-thiazol-5-yl)methyl]phenyl]ethanone
PubChem CID2145539
Molecular FormulaC12H12N2OS
Molecular Weight232.31 g/mol
Exact Mass232.07
IUPAC Name1-[4-[(2-amino-1,3-thiazol-5-yl)methyl]phenyl]ethanone
SMILESCC(=O)c1ccc(Cc2cnc(N)s2)cc1
InChIInChI=1S/C12H12N2OS/c1-8(15)10-4-2-9(3-5-10)6-11-7-14-12(13)16-11/h2-5,7H,6H2,1H3,(H2,13,14)
InChIKeyQILUUSGYHLELNJ-UHFFFAOYSA-N
XLogP2.52
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-amino-1,3-thiazol-5-yl)methyl]phenyl]ethanone?
The IUPAC name of 1-[4-[(2-amino-1,3-thiazol-5-yl)methyl]phenyl]ethanone (CID 2145539) is 1-[4-[(2-amino-1,3-thiazol-5-yl)methyl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[(2-amino-1,3-thiazol-5-yl)methyl]phenyl]ethanone?
The canonical SMILES for 1-[4-[(2-amino-1,3-thiazol-5-yl)methyl]phenyl]ethanone is CC(=O)c1ccc(Cc2cnc(N)s2)cc1.
What is the InChIKey of 1-[4-[(2-amino-1,3-thiazol-5-yl)methyl]phenyl]ethanone?
The InChIKey is QILUUSGYHLELNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2OS/c1-8(15)10-4-2-9(3-5-10)6-11-7-14-12(13)16-11/h2-5,7H,6H2,1H3,(H2,13,14).
What are the key properties of 1-[4-[(2-amino-1,3-thiazol-5-yl)methyl]phenyl]ethanone?
1-[4-[(2-amino-1,3-thiazol-5-yl)methyl]phenyl]ethanone has a molecular weight of 232.31 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-amino-1,3-thiazol-5-yl)methyl]phenyl]ethanone is sourced from PubChem (CID 2145539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).