2-(2-aminoethylamino)-6-bromo-1,3-benzothiazol-4-ol

C9H10BrN3OS — CID 138721464

IUPAC2-(2-aminoethylamino)-6-bromo-1,3-benzothiazol-4-ol
SMILESNCCNc1nc2c(O)cc(Br)cc2s1
InChIInChI=1S/C9H10BrN3OS/c10-5-3-6(14)8-7(4-5)15-9(13-8)12-2-1-11/h3-4,14H,1-2,11H2,(H,12,13)
InChIKeyQBDHVXBLXYUOPZ-UHFFFAOYSA-N
MW288.17 g/mol
LogP2.13
Rot. Bonds3

About 2-(2-aminoethylamino)-6-bromo-1,3-benzothiazol-4-ol

2-(2-aminoethylamino)-6-bromo-1,3-benzothiazol-4-ol (PubChem CID 138721464) has the molecular formula C9H10BrN3OS and a molecular weight of 288.17 g/mol. Its IUPAC name is 2-(2-aminoethylamino)-6-bromo-1,3-benzothiazol-4-ol.

Molecular Properties

Compound Name2-(2-aminoethylamino)-6-bromo-1,3-benzothiazol-4-ol
PubChem CID138721464
Molecular FormulaC9H10BrN3OS
Molecular Weight288.17 g/mol
Exact Mass286.97
IUPAC Name2-(2-aminoethylamino)-6-bromo-1,3-benzothiazol-4-ol
SMILESNCCNc1nc2c(O)cc(Br)cc2s1
InChIInChI=1S/C9H10BrN3OS/c10-5-3-6(14)8-7(4-5)15-9(13-8)12-2-1-11/h3-4,14H,1-2,11H2,(H,12,13)
InChIKeyQBDHVXBLXYUOPZ-UHFFFAOYSA-N
XLogP2.13
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.17
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethylamino)-6-bromo-1,3-benzothiazol-4-ol?
The IUPAC name of 2-(2-aminoethylamino)-6-bromo-1,3-benzothiazol-4-ol (CID 138721464) is 2-(2-aminoethylamino)-6-bromo-1,3-benzothiazol-4-ol.
What is the SMILES notation for 2-(2-aminoethylamino)-6-bromo-1,3-benzothiazol-4-ol?
The canonical SMILES for 2-(2-aminoethylamino)-6-bromo-1,3-benzothiazol-4-ol is NCCNc1nc2c(O)cc(Br)cc2s1.
What is the InChIKey of 2-(2-aminoethylamino)-6-bromo-1,3-benzothiazol-4-ol?
The InChIKey is QBDHVXBLXYUOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN3OS/c10-5-3-6(14)8-7(4-5)15-9(13-8)12-2-1-11/h3-4,14H,1-2,11H2,(H,12,13).
What are the key properties of 2-(2-aminoethylamino)-6-bromo-1,3-benzothiazol-4-ol?
2-(2-aminoethylamino)-6-bromo-1,3-benzothiazol-4-ol has a molecular weight of 288.17 g/mol, XLogP of 2.13, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethylamino)-6-bromo-1,3-benzothiazol-4-ol is sourced from PubChem (CID 138721464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).