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

C13H10N2OS2 — CID 104770850

IUPAC1-(1,3-benzothiazol-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
SMILESCc1csc(CC(=O)c2nc3ccccc3s2)n1
InChIInChI=1S/C13H10N2OS2/c1-8-7-17-12(14-8)6-10(16)13-15-9-4-2-3-5-11(9)18-13/h2-5,7H,6H2,1H3
InChIKeyQYERYVIZRPXYPI-UHFFFAOYSA-N
MW274.37 g/mol
LogP3.49
Rot. Bonds3

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

1-(1,3-benzothiazol-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone (PubChem CID 104770850) has the molecular formula C13H10N2OS2 and a molecular weight of 274.37 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(1,3-benzothiazol-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
PubChem CID104770850
Molecular FormulaC13H10N2OS2
Molecular Weight274.37 g/mol
Exact Mass274.02
IUPAC Name1-(1,3-benzothiazol-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
SMILESCc1csc(CC(=O)c2nc3ccccc3s2)n1
InChIInChI=1S/C13H10N2OS2/c1-8-7-17-12(14-8)6-10(16)13-15-9-4-2-3-5-11(9)18-13/h2-5,7H,6H2,1H3
InChIKeyQYERYVIZRPXYPI-UHFFFAOYSA-N
XLogP3.49
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(Z)-1-(1,3-benzothiazol-2-yl)ethylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 9030305
1-(1,3-benzothiazol-2-yl)-2-(6-methyl-3-pyridinyl)ethanone
CID 113457171
1-(1,3-benzothiazol-2-yl)-2-(5-methylthiophen-2-yl)ethanone
CID 43235787
1-(1-benzothiophen-3-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 115789307
1-(1,3-benzothiazol-2-yl)heptan-1-one
CID 166523778
1-(1,3-benzothiazol-2-yl)pentan-1-one;formaldehyde
CID 143934756
2-(4-methyl-1,3-thiazol-2-yl)-1-naphthalen-2-ylethanone
CID 60976974
1-(1,3-benzothiazol-2-yl)-3-ethylpentan-1-one
CID 43166671
1-(2-methoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 55023762
1-(4-methyl-1,3-thiazol-2-yl)-3-phenylpropan-2-one
CID 62795656
2-(4-methyl-1,3-thiazol-2-yl)-1-pyridin-4-ylethanone
CID 112731545
1-(2-methylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one
CID 62797378

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone?
The IUPAC name of 1-(1,3-benzothiazol-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone (CID 104770850) is 1-(1,3-benzothiazol-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone.
What is the SMILES notation for 1-(1,3-benzothiazol-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone?
The canonical SMILES for 1-(1,3-benzothiazol-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone is Cc1csc(CC(=O)c2nc3ccccc3s2)n1.
What is the InChIKey of 1-(1,3-benzothiazol-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone?
The InChIKey is QYERYVIZRPXYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2OS2/c1-8-7-17-12(14-8)6-10(16)13-15-9-4-2-3-5-11(9)18-13/h2-5,7H,6H2,1H3.
What are the key properties of 1-(1,3-benzothiazol-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone?
1-(1,3-benzothiazol-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone has a molecular weight of 274.37 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzothiazol-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone is sourced from PubChem (CID 104770850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).