1-(5-methylthiophen-3-yl)-2-(1,3-thiazol-2-yl)ethanone

C10H9NOS2 — CID 58514639

IUPAC1-(5-methylthiophen-3-yl)-2-(1,3-thiazol-2-yl)ethanone
SMILESCc1cc(C(=O)Cc2nccs2)cs1
InChIInChI=1S/C10H9NOS2/c1-7-4-8(6-14-7)9(12)5-10-11-2-3-13-10/h2-4,6H,5H2,1H3
InChIKeyWLARSYHWMMRKET-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.94
Rot. Bonds3

About 1-(5-methylthiophen-3-yl)-2-(1,3-thiazol-2-yl)ethanone

1-(5-methylthiophen-3-yl)-2-(1,3-thiazol-2-yl)ethanone (PubChem CID 58514639) has the molecular formula C10H9NOS2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-(5-methylthiophen-3-yl)-2-(1,3-thiazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(5-methylthiophen-3-yl)-2-(1,3-thiazol-2-yl)ethanone
PubChem CID58514639
Molecular FormulaC10H9NOS2
Molecular Weight223.32 g/mol
Exact Mass223.01
IUPAC Name1-(5-methylthiophen-3-yl)-2-(1,3-thiazol-2-yl)ethanone
SMILESCc1cc(C(=O)Cc2nccs2)cs1
InChIInChI=1S/C10H9NOS2/c1-7-4-8(6-14-7)9(12)5-10-11-2-3-13-10/h2-4,6H,5H2,1H3
InChIKeyWLARSYHWMMRKET-UHFFFAOYSA-N
XLogP2.94
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methylthiophen-3-yl)-2-(1,3-thiazol-2-yl)ethanone?
The IUPAC name of 1-(5-methylthiophen-3-yl)-2-(1,3-thiazol-2-yl)ethanone (CID 58514639) is 1-(5-methylthiophen-3-yl)-2-(1,3-thiazol-2-yl)ethanone.
What is the SMILES notation for 1-(5-methylthiophen-3-yl)-2-(1,3-thiazol-2-yl)ethanone?
The canonical SMILES for 1-(5-methylthiophen-3-yl)-2-(1,3-thiazol-2-yl)ethanone is Cc1cc(C(=O)Cc2nccs2)cs1.
What is the InChIKey of 1-(5-methylthiophen-3-yl)-2-(1,3-thiazol-2-yl)ethanone?
The InChIKey is WLARSYHWMMRKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NOS2/c1-7-4-8(6-14-7)9(12)5-10-11-2-3-13-10/h2-4,6H,5H2,1H3.
What are the key properties of 1-(5-methylthiophen-3-yl)-2-(1,3-thiazol-2-yl)ethanone?
1-(5-methylthiophen-3-yl)-2-(1,3-thiazol-2-yl)ethanone has a molecular weight of 223.32 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylthiophen-3-yl)-2-(1,3-thiazol-2-yl)ethanone is sourced from PubChem (CID 58514639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).