2-(ethylamino)-4-methylbenzo[e][1,3]benzothiazol-5-ol

C14H14N2OS — CID 22220811

IUPAC2-(ethylamino)-4-methylbenzo[e][1,3]benzothiazol-5-ol
SMILESCCNc1nc2c(s1)c(C)c(O)c1ccccc12
InChIInChI=1S/C14H14N2OS/c1-3-15-14-16-11-9-6-4-5-7-10(9)12(17)8(2)13(11)18-14/h4-7,17H,3H2,1-2H3,(H,15,16)
InChIKeyPMASSAPGIBGFJS-UHFFFAOYSA-N
MW258.35 g/mol
LogP3.90
Rot. Bonds2

About 2-(ethylamino)-4-methylbenzo[e][1,3]benzothiazol-5-ol

2-(ethylamino)-4-methylbenzo[e][1,3]benzothiazol-5-ol (PubChem CID 22220811) has the molecular formula C14H14N2OS and a molecular weight of 258.35 g/mol. Its IUPAC name is 2-(ethylamino)-4-methylbenzo[e][1,3]benzothiazol-5-ol.

Molecular Properties

Compound Name2-(ethylamino)-4-methylbenzo[e][1,3]benzothiazol-5-ol
PubChem CID22220811
Molecular FormulaC14H14N2OS
Molecular Weight258.35 g/mol
Exact Mass258.08
IUPAC Name2-(ethylamino)-4-methylbenzo[e][1,3]benzothiazol-5-ol
SMILESCCNc1nc2c(s1)c(C)c(O)c1ccccc12
InChIInChI=1S/C14H14N2OS/c1-3-15-14-16-11-9-6-4-5-7-10(9)12(17)8(2)13(11)18-14/h4-7,17H,3H2,1-2H3,(H,15,16)
InChIKeyPMASSAPGIBGFJS-UHFFFAOYSA-N
XLogP3.90
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-4-methylbenzo[e][1,3]benzothiazol-5-ol?
The IUPAC name of 2-(ethylamino)-4-methylbenzo[e][1,3]benzothiazol-5-ol (CID 22220811) is 2-(ethylamino)-4-methylbenzo[e][1,3]benzothiazol-5-ol.
What is the SMILES notation for 2-(ethylamino)-4-methylbenzo[e][1,3]benzothiazol-5-ol?
The canonical SMILES for 2-(ethylamino)-4-methylbenzo[e][1,3]benzothiazol-5-ol is CCNc1nc2c(s1)c(C)c(O)c1ccccc12.
What is the InChIKey of 2-(ethylamino)-4-methylbenzo[e][1,3]benzothiazol-5-ol?
The InChIKey is PMASSAPGIBGFJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2OS/c1-3-15-14-16-11-9-6-4-5-7-10(9)12(17)8(2)13(11)18-14/h4-7,17H,3H2,1-2H3,(H,15,16).
What are the key properties of 2-(ethylamino)-4-methylbenzo[e][1,3]benzothiazol-5-ol?
2-(ethylamino)-4-methylbenzo[e][1,3]benzothiazol-5-ol has a molecular weight of 258.35 g/mol, XLogP of 3.90, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-4-methylbenzo[e][1,3]benzothiazol-5-ol is sourced from PubChem (CID 22220811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).