2-(2-aminoethyl)-4-methyl-1,3-benzothiazol-6-ol

C10H12N2OS — CID 39107177

IUPAC2-(2-aminoethyl)-4-methyl-1,3-benzothiazol-6-ol
SMILESCc1cc(O)cc2sc(CCN)nc12
InChIInChI=1S/C10H12N2OS/c1-6-4-7(13)5-8-10(6)12-9(14-8)2-3-11/h4-5,13H,2-3,11H2,1H3
InChIKeyLVNHJLMSJVYYLL-UHFFFAOYSA-N
MW208.29 g/mol
LogP1.81
Rot. Bonds2

About 2-(2-aminoethyl)-4-methyl-1,3-benzothiazol-6-ol

2-(2-aminoethyl)-4-methyl-1,3-benzothiazol-6-ol (PubChem CID 39107177) has the molecular formula C10H12N2OS and a molecular weight of 208.29 g/mol. Its IUPAC name is 2-(2-aminoethyl)-4-methyl-1,3-benzothiazol-6-ol.

Molecular Properties

Compound Name2-(2-aminoethyl)-4-methyl-1,3-benzothiazol-6-ol
PubChem CID39107177
Molecular FormulaC10H12N2OS
Molecular Weight208.29 g/mol
Exact Mass208.07
IUPAC Name2-(2-aminoethyl)-4-methyl-1,3-benzothiazol-6-ol
SMILESCc1cc(O)cc2sc(CCN)nc12
InChIInChI=1S/C10H12N2OS/c1-6-4-7(13)5-8-10(6)12-9(14-8)2-3-11/h4-5,13H,2-3,11H2,1H3
InChIKeyLVNHJLMSJVYYLL-UHFFFAOYSA-N
XLogP1.81
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-4-methyl-1,3-benzothiazol-6-ol?
The IUPAC name of 2-(2-aminoethyl)-4-methyl-1,3-benzothiazol-6-ol (CID 39107177) is 2-(2-aminoethyl)-4-methyl-1,3-benzothiazol-6-ol.
What is the SMILES notation for 2-(2-aminoethyl)-4-methyl-1,3-benzothiazol-6-ol?
The canonical SMILES for 2-(2-aminoethyl)-4-methyl-1,3-benzothiazol-6-ol is Cc1cc(O)cc2sc(CCN)nc12.
What is the InChIKey of 2-(2-aminoethyl)-4-methyl-1,3-benzothiazol-6-ol?
The InChIKey is LVNHJLMSJVYYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2OS/c1-6-4-7(13)5-8-10(6)12-9(14-8)2-3-11/h4-5,13H,2-3,11H2,1H3.
What are the key properties of 2-(2-aminoethyl)-4-methyl-1,3-benzothiazol-6-ol?
2-(2-aminoethyl)-4-methyl-1,3-benzothiazol-6-ol has a molecular weight of 208.29 g/mol, XLogP of 1.81, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-4-methyl-1,3-benzothiazol-6-ol is sourced from PubChem (CID 39107177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).