(4-methyl-1,3-benzothiazol-2-yl) acetate

C10H9NO2S — CID 21327492

IUPAC(4-methyl-1,3-benzothiazol-2-yl) acetate
SMILESCC(=O)Oc1nc2c(C)cccc2s1
InChIInChI=1S/C10H9NO2S/c1-6-4-3-5-8-9(6)11-10(14-8)13-7(2)12/h3-5H,1-2H3
InChIKeyLWLOOIFRJBWGJX-UHFFFAOYSA-N
MW207.25 g/mol
LogP2.53
Rot. Bonds1

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

(4-methyl-1,3-benzothiazol-2-yl) acetate (PubChem CID 21327492) has the molecular formula C10H9NO2S and a molecular weight of 207.25 g/mol. Its IUPAC name is (4-methyl-1,3-benzothiazol-2-yl) acetate.

Molecular Properties

Compound Name(4-methyl-1,3-benzothiazol-2-yl) acetate
PubChem CID21327492
Molecular FormulaC10H9NO2S
Molecular Weight207.25 g/mol
Exact Mass207.04
IUPAC Name(4-methyl-1,3-benzothiazol-2-yl) acetate
SMILESCC(=O)Oc1nc2c(C)cccc2s1
InChIInChI=1S/C10H9NO2S/c1-6-4-3-5-8-9(6)11-10(14-8)13-7(2)12/h3-5H,1-2H3
InChIKeyLWLOOIFRJBWGJX-UHFFFAOYSA-N
XLogP2.53
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

bis(4-methyl-1,3-benzothiazol-2-yl)diazene
CID 154148255
N-[2-[(4-methyl-1,3-benzothiazol-2-yl)amino]ethyl]acetamide
CID 79146680
ethyl 3-methyl-2-(4-methyl-1,3-benzothiazol-2-yl)butanoate
CID 79474975
3-[(4-methyl-1,3-benzothiazol-2-yl)amino]propanoic acid
CID 82192935
(6-methylphenazin-1-yl) acetate
CID 610919
2-(4-methyl-1,3-benzothiazol-2-yl)propan-2-ol
CID 83384612
N-[3-[(4-methyl-1,3-benzothiazol-2-yl)amino]phenyl]acetamide
CID 79129777
(E)-1-[3-[(4-methyl-1,3-benzothiazol-2-yl)oxy]azetidin-1-yl]-3-thiophen-2-ylprop-2-en-1-one
CID 71796284
2,2,2-trifluoro-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
CID 34555190
4-methyl-2-nitro-1,3-benzothiazole
CID 119093125
4-acetamido-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 974126
4-methyl-2-(4-methyl-1,3-benzothiazol-2-yl)cyclopentane-1-carboxylic acid
CID 114391683

Frequently Asked Questions

What is the IUPAC name of (4-methyl-1,3-benzothiazol-2-yl) acetate?
The IUPAC name of (4-methyl-1,3-benzothiazol-2-yl) acetate (CID 21327492) is (4-methyl-1,3-benzothiazol-2-yl) acetate.
What is the SMILES notation for (4-methyl-1,3-benzothiazol-2-yl) acetate?
The canonical SMILES for (4-methyl-1,3-benzothiazol-2-yl) acetate is CC(=O)Oc1nc2c(C)cccc2s1.
What is the InChIKey of (4-methyl-1,3-benzothiazol-2-yl) acetate?
The InChIKey is LWLOOIFRJBWGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2S/c1-6-4-3-5-8-9(6)11-10(14-8)13-7(2)12/h3-5H,1-2H3.
What are the key properties of (4-methyl-1,3-benzothiazol-2-yl) acetate?
(4-methyl-1,3-benzothiazol-2-yl) acetate has a molecular weight of 207.25 g/mol, XLogP of 2.53, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-1,3-benzothiazol-2-yl) acetate is sourced from PubChem (CID 21327492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).