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

C10H7Cl2FN2O2S — CID 18916442

IUPACethyl N-(2,4-dichloro-6-fluoro-1,3-benzothiazol-7-yl)carbamate
SMILESCCOC(=O)Nc1c(F)cc(Cl)c2nc(Cl)sc12
InChIInChI=1S/C10H7Cl2FN2O2S/c1-2-17-10(16)15-7-5(13)3-4(11)6-8(7)18-9(12)14-6/h3H,2H2,1H3,(H,15,16)
InChIKeyCWXBDPOALXARCO-UHFFFAOYSA-N
MW309.15 g/mol
LogP4.31
Rot. Bonds2

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

ethyl N-(2,4-dichloro-6-fluoro-1,3-benzothiazol-7-yl)carbamate (PubChem CID 18916442) has the molecular formula C10H7Cl2FN2O2S and a molecular weight of 309.15 g/mol. Its IUPAC name is ethyl N-(2,4-dichloro-6-fluoro-1,3-benzothiazol-7-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(2,4-dichloro-6-fluoro-1,3-benzothiazol-7-yl)carbamate
PubChem CID18916442
Molecular FormulaC10H7Cl2FN2O2S
Molecular Weight309.15 g/mol
Exact Mass307.96
IUPAC Nameethyl N-(2,4-dichloro-6-fluoro-1,3-benzothiazol-7-yl)carbamate
SMILESCCOC(=O)Nc1c(F)cc(Cl)c2nc(Cl)sc12
InChIInChI=1S/C10H7Cl2FN2O2S/c1-2-17-10(16)15-7-5(13)3-4(11)6-8(7)18-9(12)14-6/h3H,2H2,1H3,(H,15,16)
InChIKeyCWXBDPOALXARCO-UHFFFAOYSA-N
XLogP4.31
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.15
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl N-(2,4-dichloro-6-fluoro-1,3-benzothiazol-7-yl)carbamate?
The IUPAC name of ethyl N-(2,4-dichloro-6-fluoro-1,3-benzothiazol-7-yl)carbamate (CID 18916442) is ethyl N-(2,4-dichloro-6-fluoro-1,3-benzothiazol-7-yl)carbamate.
What is the SMILES notation for ethyl N-(2,4-dichloro-6-fluoro-1,3-benzothiazol-7-yl)carbamate?
The canonical SMILES for ethyl N-(2,4-dichloro-6-fluoro-1,3-benzothiazol-7-yl)carbamate is CCOC(=O)Nc1c(F)cc(Cl)c2nc(Cl)sc12.
What is the InChIKey of ethyl N-(2,4-dichloro-6-fluoro-1,3-benzothiazol-7-yl)carbamate?
The InChIKey is CWXBDPOALXARCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2FN2O2S/c1-2-17-10(16)15-7-5(13)3-4(11)6-8(7)18-9(12)14-6/h3H,2H2,1H3,(H,15,16).
What are the key properties of ethyl N-(2,4-dichloro-6-fluoro-1,3-benzothiazol-7-yl)carbamate?
ethyl N-(2,4-dichloro-6-fluoro-1,3-benzothiazol-7-yl)carbamate has a molecular weight of 309.15 g/mol, XLogP of 4.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(2,4-dichloro-6-fluoro-1,3-benzothiazol-7-yl)carbamate is sourced from PubChem (CID 18916442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).