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

C8H6N2OS2 — CID 112642435

IUPAC1,2-bis(1,3-thiazol-5-yl)ethanone
SMILESO=C(Cc1cncs1)c1cncs1
InChIInChI=1S/C8H6N2OS2/c11-7(8-3-10-5-13-8)1-6-2-9-4-12-6/h2-5H,1H2
InChIKeyZJKXWNCDABTNAO-UHFFFAOYSA-N
MW210.28 g/mol
LogP2.03
Rot. Bonds3

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

1,2-bis(1,3-thiazol-5-yl)ethanone (PubChem CID 112642435) has the molecular formula C8H6N2OS2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 1,2-bis(1,3-thiazol-5-yl)ethanone.

Molecular Properties

Compound Name1,2-bis(1,3-thiazol-5-yl)ethanone
PubChem CID112642435
Molecular FormulaC8H6N2OS2
Molecular Weight210.28 g/mol
Exact Mass209.99
IUPAC Name1,2-bis(1,3-thiazol-5-yl)ethanone
SMILESO=C(Cc1cncs1)c1cncs1
InChIInChI=1S/C8H6N2OS2/c11-7(8-3-10-5-13-8)1-6-2-9-4-12-6/h2-5H,1H2
InChIKeyZJKXWNCDABTNAO-UHFFFAOYSA-N
XLogP2.03
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,3-thiazol-5-yl)propan-1-one
CID 54522425
1-(furan-3-yl)-2-(1,3-thiazol-5-yl)ethanone
CID 112642317
1-(3-methylthiophen-2-yl)-2-(1,3-thiazol-5-yl)ethanone
CID 115795942
lithium 1,3-thiazole-5-carboxylate
CID 67211399
1-(3-chloro-4-pyridinyl)-2-(1,3-thiazol-5-yl)ethanone
CID 105126307
1-(2,6-dimethyl-3-pyridinyl)-2-(1,3-thiazol-5-yl)ethanone
CID 105126213
1-(3-fluorophenyl)-2-(1,3-thiazol-5-yl)ethanone
CID 112642213
1-(6-amino-2-pyridinyl)-2-(1,3-thiazol-5-yl)ethanone
CID 130646624
4-methyl-1-(1,3-thiazol-5-yl)pent-4-en-1-one
CID 114473677
4,4-dimethyl-1-(1,3-thiazol-5-yl)pentan-2-one
CID 112642314
2-(1,3-thiazol-5-yl)ethanethioamide
CID 112640496
3-ethyl-3-hydroxy-1-(1,3-thiazol-5-yl)pentan-2-one
CID 103446921

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(1,3-thiazol-5-yl)ethanone?
The IUPAC name of 1,2-bis(1,3-thiazol-5-yl)ethanone (CID 112642435) is 1,2-bis(1,3-thiazol-5-yl)ethanone.
What is the SMILES notation for 1,2-bis(1,3-thiazol-5-yl)ethanone?
The canonical SMILES for 1,2-bis(1,3-thiazol-5-yl)ethanone is O=C(Cc1cncs1)c1cncs1.
What is the InChIKey of 1,2-bis(1,3-thiazol-5-yl)ethanone?
The InChIKey is ZJKXWNCDABTNAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2OS2/c11-7(8-3-10-5-13-8)1-6-2-9-4-12-6/h2-5H,1H2.
What are the key properties of 1,2-bis(1,3-thiazol-5-yl)ethanone?
1,2-bis(1,3-thiazol-5-yl)ethanone has a molecular weight of 210.28 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(1,3-thiazol-5-yl)ethanone is sourced from PubChem (CID 112642435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).