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

C9H8N2OS2 — CID 105126243

IUPAC1-(2-methyl-1,3-thiazol-4-yl)-2-(1,3-thiazol-5-yl)ethanone
SMILESCc1nc(C(=O)Cc2cncs2)cs1
InChIInChI=1S/C9H8N2OS2/c1-6-11-8(4-13-6)9(12)2-7-3-10-5-14-7/h3-5H,2H2,1H3
InChIKeyFNNDDUZDLWEPCK-UHFFFAOYSA-N
MW224.31 g/mol
LogP2.33
Rot. Bonds3

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

1-(2-methyl-1,3-thiazol-4-yl)-2-(1,3-thiazol-5-yl)ethanone (PubChem CID 105126243) has the molecular formula C9H8N2OS2 and a molecular weight of 224.31 g/mol. Its IUPAC name is 1-(2-methyl-1,3-thiazol-4-yl)-2-(1,3-thiazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(2-methyl-1,3-thiazol-4-yl)-2-(1,3-thiazol-5-yl)ethanone
PubChem CID105126243
Molecular FormulaC9H8N2OS2
Molecular Weight224.31 g/mol
Exact Mass224.01
IUPAC Name1-(2-methyl-1,3-thiazol-4-yl)-2-(1,3-thiazol-5-yl)ethanone
SMILESCc1nc(C(=O)Cc2cncs2)cs1
InChIInChI=1S/C9H8N2OS2/c1-6-11-8(4-13-6)9(12)2-7-3-10-5-14-7/h3-5H,2H2,1H3
InChIKeyFNNDDUZDLWEPCK-UHFFFAOYSA-N
XLogP2.33
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1,3-thiazol-4-yl)-2-(1,3-thiazol-5-yl)ethanone?
The IUPAC name of 1-(2-methyl-1,3-thiazol-4-yl)-2-(1,3-thiazol-5-yl)ethanone (CID 105126243) is 1-(2-methyl-1,3-thiazol-4-yl)-2-(1,3-thiazol-5-yl)ethanone.
What is the SMILES notation for 1-(2-methyl-1,3-thiazol-4-yl)-2-(1,3-thiazol-5-yl)ethanone?
The canonical SMILES for 1-(2-methyl-1,3-thiazol-4-yl)-2-(1,3-thiazol-5-yl)ethanone is Cc1nc(C(=O)Cc2cncs2)cs1.
What is the InChIKey of 1-(2-methyl-1,3-thiazol-4-yl)-2-(1,3-thiazol-5-yl)ethanone?
The InChIKey is FNNDDUZDLWEPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2OS2/c1-6-11-8(4-13-6)9(12)2-7-3-10-5-14-7/h3-5H,2H2,1H3.
What are the key properties of 1-(2-methyl-1,3-thiazol-4-yl)-2-(1,3-thiazol-5-yl)ethanone?
1-(2-methyl-1,3-thiazol-4-yl)-2-(1,3-thiazol-5-yl)ethanone has a molecular weight of 224.31 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1,3-thiazol-4-yl)-2-(1,3-thiazol-5-yl)ethanone is sourced from PubChem (CID 105126243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).