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

C8H5NOS2 — CID 2760610

IUPAC1,3-thiazol-2-yl(thiophen-2-yl)methanone
SMILESO=C(c1cccs1)c1nccs1
InChIInChI=1S/C8H5NOS2/c10-7(6-2-1-4-11-6)8-9-3-5-12-8/h1-5H
InChIKeyXRZBCEHSIFBWPV-UHFFFAOYSA-N
MW195.27 g/mol
LogP2.44
Rot. Bonds2

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

1,3-thiazol-2-yl(thiophen-2-yl)methanone (PubChem CID 2760610) has the molecular formula C8H5NOS2 and a molecular weight of 195.27 g/mol. Its IUPAC name is 1,3-thiazol-2-yl(thiophen-2-yl)methanone.

Molecular Properties

Compound Name1,3-thiazol-2-yl(thiophen-2-yl)methanone
PubChem CID2760610
Molecular FormulaC8H5NOS2
Molecular Weight195.27 g/mol
Exact Mass194.98
IUPAC Name1,3-thiazol-2-yl(thiophen-2-yl)methanone
SMILESO=C(c1cccs1)c1nccs1
InChIInChI=1S/C8H5NOS2/c10-7(6-2-1-4-11-6)8-9-3-5-12-8/h1-5H
InChIKeyXRZBCEHSIFBWPV-UHFFFAOYSA-N
XLogP2.44
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Benzoyl-1,3-thiazole
CID 569967
Thiophen-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106782416
1-(3-Fluorothiophen-2-yl)-2-(1,3-thiazol-5-yl)ethanone
CID 130594586
1,3-Thiazol-2-yl-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
CID 16670263
2-(4,5-Dimethyl-1,3-thiazol-3-ium-3-yl)-1-thiophen-2-ylethanone chloride
CID 9814118
2-(4,5-Dimethyl-1,3-thiazol-3-ium-3-yl)-1-thiophen-2-ylethanone
CID 9814119
3-(2-Thiophenyl-2-oxoethyl)-4,5-dimethyl-thiazolium bromide
CID 9922991
1-Thiophen-2-yl-2-(2,4,5-trimethyl-1,3-thiazol-3-ium-3-yl)ethanone
CID 21079164
(2-Sulfanylphenyl)-(1,3-thiazol-2-yl)methanone
CID 21394123
2-(1,3-Thiazol-3-ium-3-yl)-1-thiophen-2-ylethanone bromide
CID 22671527
(4-Methylsulfanylphenyl)-(1,3-thiazol-2-yl)methanone
CID 22716775
1-(5-Methylthiophen-3-yl)-2-(1,3-thiazol-2-yl)ethanone
CID 58514639

Frequently Asked Questions

What is the IUPAC name of 1,3-thiazol-2-yl(thiophen-2-yl)methanone?
The IUPAC name of 1,3-thiazol-2-yl(thiophen-2-yl)methanone (CID 2760610) is 1,3-thiazol-2-yl(thiophen-2-yl)methanone.
What is the SMILES notation for 1,3-thiazol-2-yl(thiophen-2-yl)methanone?
The canonical SMILES for 1,3-thiazol-2-yl(thiophen-2-yl)methanone is O=C(c1cccs1)c1nccs1.
What is the InChIKey of 1,3-thiazol-2-yl(thiophen-2-yl)methanone?
The InChIKey is XRZBCEHSIFBWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5NOS2/c10-7(6-2-1-4-11-6)8-9-3-5-12-8/h1-5H.
What are the key properties of 1,3-thiazol-2-yl(thiophen-2-yl)methanone?
1,3-thiazol-2-yl(thiophen-2-yl)methanone has a molecular weight of 195.27 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-thiazol-2-yl(thiophen-2-yl)methanone is sourced from PubChem (CID 2760610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).