2-(4,5-dihydro-1,3-thiazol-2-yl)-1-(1,3-thiazol-2-yl)ethanone

C8H8N2OS2 — CID 23644661

IUPAC2-(4,5-dihydro-1,3-thiazol-2-yl)-1-(1,3-thiazol-2-yl)ethanone
SMILESO=C(CC1=NCCS1)c1nccs1
InChIInChI=1S/C8H8N2OS2/c11-6(8-10-2-4-13-8)5-7-9-1-3-12-7/h2,4H,1,3,5H2
InChIKeyGGVYMBBIRKYGKJ-UHFFFAOYSA-N
MW212.30 g/mol
LogP1.86
Rot. Bonds3

About 2-(4,5-dihydro-1,3-thiazol-2-yl)-1-(1,3-thiazol-2-yl)ethanone

2-(4,5-dihydro-1,3-thiazol-2-yl)-1-(1,3-thiazol-2-yl)ethanone (PubChem CID 23644661) has the molecular formula C8H8N2OS2 and a molecular weight of 212.30 g/mol. Its IUPAC name is 2-(4,5-dihydro-1,3-thiazol-2-yl)-1-(1,3-thiazol-2-yl)ethanone.

Molecular Properties

Compound Name2-(4,5-dihydro-1,3-thiazol-2-yl)-1-(1,3-thiazol-2-yl)ethanone
PubChem CID23644661
Molecular FormulaC8H8N2OS2
Molecular Weight212.30 g/mol
Exact Mass212.01
IUPAC Name2-(4,5-dihydro-1,3-thiazol-2-yl)-1-(1,3-thiazol-2-yl)ethanone
SMILESO=C(CC1=NCCS1)c1nccs1
InChIInChI=1S/C8H8N2OS2/c11-6(8-10-2-4-13-8)5-7-9-1-3-12-7/h2,4H,1,3,5H2
InChIKeyGGVYMBBIRKYGKJ-UHFFFAOYSA-N
XLogP1.86
TPSA42.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1,3-thiazol-2-yl)-1-(1,3-thiazol-2-yl)ethanone?
The IUPAC name of 2-(4,5-dihydro-1,3-thiazol-2-yl)-1-(1,3-thiazol-2-yl)ethanone (CID 23644661) is 2-(4,5-dihydro-1,3-thiazol-2-yl)-1-(1,3-thiazol-2-yl)ethanone.
What is the SMILES notation for 2-(4,5-dihydro-1,3-thiazol-2-yl)-1-(1,3-thiazol-2-yl)ethanone?
The canonical SMILES for 2-(4,5-dihydro-1,3-thiazol-2-yl)-1-(1,3-thiazol-2-yl)ethanone is O=C(CC1=NCCS1)c1nccs1.
What is the InChIKey of 2-(4,5-dihydro-1,3-thiazol-2-yl)-1-(1,3-thiazol-2-yl)ethanone?
The InChIKey is GGVYMBBIRKYGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2OS2/c11-6(8-10-2-4-13-8)5-7-9-1-3-12-7/h2,4H,1,3,5H2.
What are the key properties of 2-(4,5-dihydro-1,3-thiazol-2-yl)-1-(1,3-thiazol-2-yl)ethanone?
2-(4,5-dihydro-1,3-thiazol-2-yl)-1-(1,3-thiazol-2-yl)ethanone has a molecular weight of 212.30 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1,3-thiazol-2-yl)-1-(1,3-thiazol-2-yl)ethanone is sourced from PubChem (CID 23644661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).