2-phenyl-1-(1,3-thiazol-4-yl)propan-1-one

C12H11NOS — CID 130610113

IUPAC2-phenyl-1-(1,3-thiazol-4-yl)propan-1-one
SMILESCC(C(=O)c1cscn1)c1ccccc1
InChIInChI=1S/C12H11NOS/c1-9(10-5-3-2-4-6-10)12(14)11-7-15-8-13-11/h2-9H,1H3
InChIKeyKPEDWEVOOFKYDV-UHFFFAOYSA-N
MW217.29 g/mol
LogP3.13
Rot. Bonds3

About 2-phenyl-1-(1,3-thiazol-4-yl)propan-1-one

2-phenyl-1-(1,3-thiazol-4-yl)propan-1-one (PubChem CID 130610113) has the molecular formula C12H11NOS and a molecular weight of 217.29 g/mol. Its IUPAC name is 2-phenyl-1-(1,3-thiazol-4-yl)propan-1-one.

Molecular Properties

Compound Name2-phenyl-1-(1,3-thiazol-4-yl)propan-1-one
PubChem CID130610113
Molecular FormulaC12H11NOS
Molecular Weight217.29 g/mol
Exact Mass217.06
IUPAC Name2-phenyl-1-(1,3-thiazol-4-yl)propan-1-one
SMILESCC(C(=O)c1cscn1)c1ccccc1
InChIInChI=1S/C12H11NOS/c1-9(10-5-3-2-4-6-10)12(14)11-7-15-8-13-11/h2-9H,1H3
InChIKeyKPEDWEVOOFKYDV-UHFFFAOYSA-N
XLogP3.13
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-(1,3-thiazol-4-yl)propan-1-one?
The IUPAC name of 2-phenyl-1-(1,3-thiazol-4-yl)propan-1-one (CID 130610113) is 2-phenyl-1-(1,3-thiazol-4-yl)propan-1-one.
What is the SMILES notation for 2-phenyl-1-(1,3-thiazol-4-yl)propan-1-one?
The canonical SMILES for 2-phenyl-1-(1,3-thiazol-4-yl)propan-1-one is CC(C(=O)c1cscn1)c1ccccc1.
What is the InChIKey of 2-phenyl-1-(1,3-thiazol-4-yl)propan-1-one?
The InChIKey is KPEDWEVOOFKYDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NOS/c1-9(10-5-3-2-4-6-10)12(14)11-7-15-8-13-11/h2-9H,1H3.
What are the key properties of 2-phenyl-1-(1,3-thiazol-4-yl)propan-1-one?
2-phenyl-1-(1,3-thiazol-4-yl)propan-1-one has a molecular weight of 217.29 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-(1,3-thiazol-4-yl)propan-1-one is sourced from PubChem (CID 130610113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).