ethyl N-(4-chloro-6-fluoro-2-methyl-1,3-benzothiazol-7-yl)carbamate

C11H10ClFN2O2S — CID 18916408

IUPACethyl N-(4-chloro-6-fluoro-2-methyl-1,3-benzothiazol-7-yl)carbamate
SMILESCCOC(=O)Nc1c(F)cc(Cl)c2nc(C)sc12
InChIInChI=1S/C11H10ClFN2O2S/c1-3-17-11(16)15-9-7(13)4-6(12)8-10(9)18-5(2)14-8/h4H,3H2,1-2H3,(H,15,16)
InChIKeyQZZZKZQVKMHIEZ-UHFFFAOYSA-N
MW288.73 g/mol
LogP3.97
Rot. Bonds2

About ethyl N-(4-chloro-6-fluoro-2-methyl-1,3-benzothiazol-7-yl)carbamate

ethyl N-(4-chloro-6-fluoro-2-methyl-1,3-benzothiazol-7-yl)carbamate (PubChem CID 18916408) has the molecular formula C11H10ClFN2O2S and a molecular weight of 288.73 g/mol. Its IUPAC name is ethyl N-(4-chloro-6-fluoro-2-methyl-1,3-benzothiazol-7-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(4-chloro-6-fluoro-2-methyl-1,3-benzothiazol-7-yl)carbamate
PubChem CID18916408
Molecular FormulaC11H10ClFN2O2S
Molecular Weight288.73 g/mol
Exact Mass288.01
IUPAC Nameethyl N-(4-chloro-6-fluoro-2-methyl-1,3-benzothiazol-7-yl)carbamate
SMILESCCOC(=O)Nc1c(F)cc(Cl)c2nc(C)sc12
InChIInChI=1S/C11H10ClFN2O2S/c1-3-17-11(16)15-9-7(13)4-6(12)8-10(9)18-5(2)14-8/h4H,3H2,1-2H3,(H,15,16)
InChIKeyQZZZKZQVKMHIEZ-UHFFFAOYSA-N
XLogP3.97
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.73
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl N-(4-chloro-6-fluoro-3-methyl-2-nitrophenyl)carbamate
CID 134109429
ethyl N-(4-chloro-2,6-difluoro-3-nitrophenyl)carbamate
CID 18315089
ethyl N-(4-chloro-2-fluoro-5-sulfanylphenyl)carbamate
CID 139638488
ethyl N-(3-chloro-1-fluoronaphthalen-2-yl)carbamate
CID 68805719
ethyl N-(2,4-dichloro-6-hydroxyphenyl)carbamate
CID 54000840
ethyl N-(4-bromo-3-chloro-5-fluorophenyl)carbamate
CID 130542983
ethyl N-(2,3,4-trifluoro-6-iodophenyl)carbamate
CID 171470443
ethyl N-(4-chloro-2-piperidin-1-yl-1,3-benzothiazol-7-yl)carbamate
CID 18916415
ethyl 2-(2-chloro-4,6-difluoroanilino)-2-oxoacetate
CID 83087259
ethyl N-(4,6-dimethylpyrimidin-2-yl)carbamate
CID 51056605
ethyl N-(2-chloro-4-methyl-3-pyridinyl)carbamate
CID 65490501
ethyl N-[5-(ethoxycarbonylamino)thiophen-2-yl]carbamate
CID 14948425

Frequently Asked Questions

What is the IUPAC name of ethyl N-(4-chloro-6-fluoro-2-methyl-1,3-benzothiazol-7-yl)carbamate?
The IUPAC name of ethyl N-(4-chloro-6-fluoro-2-methyl-1,3-benzothiazol-7-yl)carbamate (CID 18916408) is ethyl N-(4-chloro-6-fluoro-2-methyl-1,3-benzothiazol-7-yl)carbamate.
What is the SMILES notation for ethyl N-(4-chloro-6-fluoro-2-methyl-1,3-benzothiazol-7-yl)carbamate?
The canonical SMILES for ethyl N-(4-chloro-6-fluoro-2-methyl-1,3-benzothiazol-7-yl)carbamate is CCOC(=O)Nc1c(F)cc(Cl)c2nc(C)sc12.
What is the InChIKey of ethyl N-(4-chloro-6-fluoro-2-methyl-1,3-benzothiazol-7-yl)carbamate?
The InChIKey is QZZZKZQVKMHIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN2O2S/c1-3-17-11(16)15-9-7(13)4-6(12)8-10(9)18-5(2)14-8/h4H,3H2,1-2H3,(H,15,16).
What are the key properties of ethyl N-(4-chloro-6-fluoro-2-methyl-1,3-benzothiazol-7-yl)carbamate?
ethyl N-(4-chloro-6-fluoro-2-methyl-1,3-benzothiazol-7-yl)carbamate has a molecular weight of 288.73 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(4-chloro-6-fluoro-2-methyl-1,3-benzothiazol-7-yl)carbamate is sourced from PubChem (CID 18916408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).