phenyl(1,3-thiazol-2-yl)methanone

C10H7NOS — CID 569967

IUPACphenyl(1,3-thiazol-2-yl)methanone
SMILESO=C(c1ccccc1)c1nccs1
InChIInChI=1S/C10H7NOS/c12-9(10-11-6-7-13-10)8-4-2-1-3-5-8/h1-7H
InChIKeyJLTSGRABZPTRMS-UHFFFAOYSA-N
MW189.24 g/mol
LogP2.37
Rot. Bonds2

About phenyl(1,3-thiazol-2-yl)methanone

phenyl(1,3-thiazol-2-yl)methanone (PubChem CID 569967) has the molecular formula C10H7NOS and a molecular weight of 189.24 g/mol. Its IUPAC name is phenyl(1,3-thiazol-2-yl)methanone.

Molecular Properties

Compound Namephenyl(1,3-thiazol-2-yl)methanone
PubChem CID569967
Molecular FormulaC10H7NOS
Molecular Weight189.24 g/mol
Exact Mass189.02
IUPAC Namephenyl(1,3-thiazol-2-yl)methanone
SMILESO=C(c1ccccc1)c1nccs1
InChIInChI=1S/C10H7NOS/c12-9(10-11-6-7-13-10)8-4-2-1-3-5-8/h1-7H
InChIKeyJLTSGRABZPTRMS-UHFFFAOYSA-N
XLogP2.37
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.24
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of phenyl(1,3-thiazol-2-yl)methanone?
The IUPAC name of phenyl(1,3-thiazol-2-yl)methanone (CID 569967) is phenyl(1,3-thiazol-2-yl)methanone.
What is the SMILES notation for phenyl(1,3-thiazol-2-yl)methanone?
The canonical SMILES for phenyl(1,3-thiazol-2-yl)methanone is O=C(c1ccccc1)c1nccs1.
What is the InChIKey of phenyl(1,3-thiazol-2-yl)methanone?
The InChIKey is JLTSGRABZPTRMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NOS/c12-9(10-11-6-7-13-10)8-4-2-1-3-5-8/h1-7H.
What are the key properties of phenyl(1,3-thiazol-2-yl)methanone?
phenyl(1,3-thiazol-2-yl)methanone has a molecular weight of 189.24 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl(1,3-thiazol-2-yl)methanone is sourced from PubChem (CID 569967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).