(4-methoxyphenyl)-(1,3-thiazol-2-yl)methanone

C11H9NO2S — CID 10608908

IUPAC(4-methoxyphenyl)-(1,3-thiazol-2-yl)methanone
SMILESCOc1ccc(C(=O)c2nccs2)cc1
InChIInChI=1S/C11H9NO2S/c1-14-9-4-2-8(3-5-9)10(13)11-12-6-7-15-11/h2-7H,1H3
InChIKeyLXWFMRSPJYHGMI-UHFFFAOYSA-N
MW219.26 g/mol
LogP2.38
Rot. Bonds3

About (4-methoxyphenyl)-(1,3-thiazol-2-yl)methanone

(4-methoxyphenyl)-(1,3-thiazol-2-yl)methanone (PubChem CID 10608908) has the molecular formula C11H9NO2S and a molecular weight of 219.26 g/mol. Its IUPAC name is (4-methoxyphenyl)-(1,3-thiazol-2-yl)methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-(1,3-thiazol-2-yl)methanone
PubChem CID10608908
Molecular FormulaC11H9NO2S
Molecular Weight219.26 g/mol
Exact Mass219.04
IUPAC Name(4-methoxyphenyl)-(1,3-thiazol-2-yl)methanone
SMILESCOc1ccc(C(=O)c2nccs2)cc1
InChIInChI=1S/C11H9NO2S/c1-14-9-4-2-8(3-5-9)10(13)11-12-6-7-15-11/h2-7H,1H3
InChIKeyLXWFMRSPJYHGMI-UHFFFAOYSA-N
XLogP2.38
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-(1,3-thiazol-2-yl)methanone?
The IUPAC name of (4-methoxyphenyl)-(1,3-thiazol-2-yl)methanone (CID 10608908) is (4-methoxyphenyl)-(1,3-thiazol-2-yl)methanone.
What is the SMILES notation for (4-methoxyphenyl)-(1,3-thiazol-2-yl)methanone?
The canonical SMILES for (4-methoxyphenyl)-(1,3-thiazol-2-yl)methanone is COc1ccc(C(=O)c2nccs2)cc1.
What is the InChIKey of (4-methoxyphenyl)-(1,3-thiazol-2-yl)methanone?
The InChIKey is LXWFMRSPJYHGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2S/c1-14-9-4-2-8(3-5-9)10(13)11-12-6-7-15-11/h2-7H,1H3.
What are the key properties of (4-methoxyphenyl)-(1,3-thiazol-2-yl)methanone?
(4-methoxyphenyl)-(1,3-thiazol-2-yl)methanone has a molecular weight of 219.26 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-(1,3-thiazol-2-yl)methanone is sourced from PubChem (CID 10608908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).