1-(1,3-benzothiazol-2-yl)-2-(5-methylthiophen-2-yl)ethanone

C14H11NOS2 — CID 43235787

IUPAC1-(1,3-benzothiazol-2-yl)-2-(5-methylthiophen-2-yl)ethanone
SMILESCc1ccc(CC(=O)c2nc3ccccc3s2)s1
InChIInChI=1S/C14H11NOS2/c1-9-6-7-10(17-9)8-12(16)14-15-11-4-2-3-5-13(11)18-14/h2-7H,8H2,1H3
InChIKeyVFTSZEYYCPBQPW-UHFFFAOYSA-N
MW273.38 g/mol
LogP4.09
Rot. Bonds3

About 1-(1,3-benzothiazol-2-yl)-2-(5-methylthiophen-2-yl)ethanone

1-(1,3-benzothiazol-2-yl)-2-(5-methylthiophen-2-yl)ethanone (PubChem CID 43235787) has the molecular formula C14H11NOS2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-2-yl)-2-(5-methylthiophen-2-yl)ethanone.

Molecular Properties

Compound Name1-(1,3-benzothiazol-2-yl)-2-(5-methylthiophen-2-yl)ethanone
PubChem CID43235787
Molecular FormulaC14H11NOS2
Molecular Weight273.38 g/mol
Exact Mass273.03
IUPAC Name1-(1,3-benzothiazol-2-yl)-2-(5-methylthiophen-2-yl)ethanone
SMILESCc1ccc(CC(=O)c2nc3ccccc3s2)s1
InChIInChI=1S/C14H11NOS2/c1-9-6-7-10(17-9)8-12(16)14-15-11-4-2-3-5-13(11)18-14/h2-7H,8H2,1H3
InChIKeyVFTSZEYYCPBQPW-UHFFFAOYSA-N
XLogP4.09
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-benzothiazol-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 104770850
1-(1,3-benzothiazol-2-yl)-2-(6-methyl-3-pyridinyl)ethanone
CID 113457171
1-(1,3-benzothiazol-2-yl)-3-(2-methylfuran-3-yl)propane-1,3-dione
CID 43321384
1-(1,3-benzothiazol-2-yl)-3-ethylpentan-1-one
CID 43166671
1-(1,3-benzothiazol-2-yl)pentan-1-one;formaldehyde
CID 143934756
1-(1,3-benzothiazol-2-yl)heptan-1-one
CID 166523778
1-(1,3-benzothiazol-2-yl)-2-(5-bromo-2-methoxyphenyl)ethanone
CID 43090832
1-(1,3-benzothiazol-2-yl)-2-(3-fluoro-4-hydroxyphenyl)ethanone
CID 107692404
1-(1,3-benzothiazol-2-yl)-2-(3-chloro-4-methoxyphenyl)ethanone
CID 65022506
2-(azepan-2-yl)-1-(1,3-benzothiazol-2-yl)ethanone
CID 79537658
2-[1,3-benzothiazole-2-carbonyl(methyl)amino]acetic acid
CID 110488490
2-(3-methylbut-1-en-2-yl)-1,3-benzothiazole
CID 163918945

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-2-yl)-2-(5-methylthiophen-2-yl)ethanone?
The IUPAC name of 1-(1,3-benzothiazol-2-yl)-2-(5-methylthiophen-2-yl)ethanone (CID 43235787) is 1-(1,3-benzothiazol-2-yl)-2-(5-methylthiophen-2-yl)ethanone.
What is the SMILES notation for 1-(1,3-benzothiazol-2-yl)-2-(5-methylthiophen-2-yl)ethanone?
The canonical SMILES for 1-(1,3-benzothiazol-2-yl)-2-(5-methylthiophen-2-yl)ethanone is Cc1ccc(CC(=O)c2nc3ccccc3s2)s1.
What is the InChIKey of 1-(1,3-benzothiazol-2-yl)-2-(5-methylthiophen-2-yl)ethanone?
The InChIKey is VFTSZEYYCPBQPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NOS2/c1-9-6-7-10(17-9)8-12(16)14-15-11-4-2-3-5-13(11)18-14/h2-7H,8H2,1H3.
What are the key properties of 1-(1,3-benzothiazol-2-yl)-2-(5-methylthiophen-2-yl)ethanone?
1-(1,3-benzothiazol-2-yl)-2-(5-methylthiophen-2-yl)ethanone has a molecular weight of 273.38 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzothiazol-2-yl)-2-(5-methylthiophen-2-yl)ethanone is sourced from PubChem (CID 43235787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).