7-chloro-6-ethoxy-4-methoxy-1,3-benzothiazol-2-amine

C10H11ClN2O2S — CID 135169363

IUPAC7-chloro-6-ethoxy-4-methoxy-1,3-benzothiazol-2-amine
SMILESCCOc1cc(OC)c2nc(N)sc2c1Cl
InChIInChI=1S/C10H11ClN2O2S/c1-3-15-5-4-6(14-2)8-9(7(5)11)16-10(12)13-8/h4H,3H2,1-2H3,(H2,12,13)
InChIKeyKEZDCTKXTBEXSB-UHFFFAOYSA-N
MW258.73 g/mol
LogP2.94
Rot. Bonds3

About 7-chloro-6-ethoxy-4-methoxy-1,3-benzothiazol-2-amine

7-chloro-6-ethoxy-4-methoxy-1,3-benzothiazol-2-amine (PubChem CID 135169363) has the molecular formula C10H11ClN2O2S and a molecular weight of 258.73 g/mol. Its IUPAC name is 7-chloro-6-ethoxy-4-methoxy-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name7-chloro-6-ethoxy-4-methoxy-1,3-benzothiazol-2-amine
PubChem CID135169363
Molecular FormulaC10H11ClN2O2S
Molecular Weight258.73 g/mol
Exact Mass258.02
IUPAC Name7-chloro-6-ethoxy-4-methoxy-1,3-benzothiazol-2-amine
SMILESCCOc1cc(OC)c2nc(N)sc2c1Cl
InChIInChI=1S/C10H11ClN2O2S/c1-3-15-5-4-6(14-2)8-9(7(5)11)16-10(12)13-8/h4H,3H2,1-2H3,(H2,12,13)
InChIKeyKEZDCTKXTBEXSB-UHFFFAOYSA-N
XLogP2.94
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.73
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-ethoxy-4-methoxy-1,3-benzothiazol-2-amine?
The IUPAC name of 7-chloro-6-ethoxy-4-methoxy-1,3-benzothiazol-2-amine (CID 135169363) is 7-chloro-6-ethoxy-4-methoxy-1,3-benzothiazol-2-amine.
What is the SMILES notation for 7-chloro-6-ethoxy-4-methoxy-1,3-benzothiazol-2-amine?
The canonical SMILES for 7-chloro-6-ethoxy-4-methoxy-1,3-benzothiazol-2-amine is CCOc1cc(OC)c2nc(N)sc2c1Cl.
What is the InChIKey of 7-chloro-6-ethoxy-4-methoxy-1,3-benzothiazol-2-amine?
The InChIKey is KEZDCTKXTBEXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O2S/c1-3-15-5-4-6(14-2)8-9(7(5)11)16-10(12)13-8/h4H,3H2,1-2H3,(H2,12,13).
What are the key properties of 7-chloro-6-ethoxy-4-methoxy-1,3-benzothiazol-2-amine?
7-chloro-6-ethoxy-4-methoxy-1,3-benzothiazol-2-amine has a molecular weight of 258.73 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-ethoxy-4-methoxy-1,3-benzothiazol-2-amine is sourced from PubChem (CID 135169363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).