methyl 2-(5-chloro-1,3-benzothiazol-2-yl)acetate

C10H8ClNO2S — CID 79475132

IUPACmethyl 2-(5-chloro-1,3-benzothiazol-2-yl)acetate
SMILESCOC(=O)Cc1nc2cc(Cl)ccc2s1
InChIInChI=1S/C10H8ClNO2S/c1-14-10(13)5-9-12-7-4-6(11)2-3-8(7)15-9/h2-4H,5H2,1H3
InChIKeyLYXIXNDZIKIPIG-UHFFFAOYSA-N
MW241.70 g/mol
LogP2.67
Rot. Bonds2

About methyl 2-(5-chloro-1,3-benzothiazol-2-yl)acetate

methyl 2-(5-chloro-1,3-benzothiazol-2-yl)acetate (PubChem CID 79475132) has the molecular formula C10H8ClNO2S and a molecular weight of 241.70 g/mol. Its IUPAC name is methyl 2-(5-chloro-1,3-benzothiazol-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(5-chloro-1,3-benzothiazol-2-yl)acetate
PubChem CID79475132
Molecular FormulaC10H8ClNO2S
Molecular Weight241.70 g/mol
Exact Mass241.00
IUPAC Namemethyl 2-(5-chloro-1,3-benzothiazol-2-yl)acetate
SMILESCOC(=O)Cc1nc2cc(Cl)ccc2s1
InChIInChI=1S/C10H8ClNO2S/c1-14-10(13)5-9-12-7-4-6(11)2-3-8(7)15-9/h2-4H,5H2,1H3
InChIKeyLYXIXNDZIKIPIG-UHFFFAOYSA-N
XLogP2.67
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.70
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(5-chloro-1,3-benzothiazol-2-yl)-3-oxopropanoate
CID 82667356
2-[(5-chloro-1,3-benzothiazol-2-yl)methylsulfanyl]acetic acid
CID 104570542
2-[(5-chloro-1,3-benzothiazol-2-yl)methyl]-2-ethylbutanoic acid
CID 43470941
ethyl 2-(5-methyl-1,3-benzothiazol-2-yl)acetate
CID 79022075
N-[(5-chloro-1,3-benzothiazol-2-yl)methyl]propan-2-amine
CID 60837389
N-[4-[(5-chloro-1,3-benzothiazol-2-yl)methoxy]-2-ethylphenyl]acetamide
CID 18932476
N-[2-(5-chloro-1,3-benzothiazol-2-yl)ethyl]-2-(methylamino)acetamide;hydrochloride
CID 119698358
1-(5-chloro-1,3-benzothiazol-2-yl)-2-methylpropan-2-amine
CID 64671247
N-[2-(5-chloro-1,3-benzothiazol-2-yl)ethyl]-4-(methylamino)butanamide
CID 119698347
(2S)-2-amino-N-[2-(5-chloro-1,3-benzothiazol-2-yl)ethyl]-3,3-dimethylbutanamide;hydrochloride
CID 119698364
1-amino-3-(5-chloro-1,3-benzothiazol-2-yl)-2-methylpropan-2-ol
CID 66002968
methyl 2-(2-amino-1,3-benzothiazol-5-yl)acetate
CID 59519154

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-chloro-1,3-benzothiazol-2-yl)acetate?
The IUPAC name of methyl 2-(5-chloro-1,3-benzothiazol-2-yl)acetate (CID 79475132) is methyl 2-(5-chloro-1,3-benzothiazol-2-yl)acetate.
What is the SMILES notation for methyl 2-(5-chloro-1,3-benzothiazol-2-yl)acetate?
The canonical SMILES for methyl 2-(5-chloro-1,3-benzothiazol-2-yl)acetate is COC(=O)Cc1nc2cc(Cl)ccc2s1.
What is the InChIKey of methyl 2-(5-chloro-1,3-benzothiazol-2-yl)acetate?
The InChIKey is LYXIXNDZIKIPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNO2S/c1-14-10(13)5-9-12-7-4-6(11)2-3-8(7)15-9/h2-4H,5H2,1H3.
What are the key properties of methyl 2-(5-chloro-1,3-benzothiazol-2-yl)acetate?
methyl 2-(5-chloro-1,3-benzothiazol-2-yl)acetate has a molecular weight of 241.70 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-chloro-1,3-benzothiazol-2-yl)acetate is sourced from PubChem (CID 79475132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).