2-[4-(methylamino)phenyl]-1,3-benzothiazol-4-ol

C14H12N2OS — CID 42603587

IUPAC2-[4-(methylamino)phenyl]-1,3-benzothiazol-4-ol
SMILESCNc1ccc(-c2nc3c(O)cccc3s2)cc1
InChIInChI=1S/C14H12N2OS/c1-15-10-7-5-9(6-8-10)14-16-13-11(17)3-2-4-12(13)18-14/h2-8,15,17H,1H3
InChIKeyIJBBUIGLTVTLJV-UHFFFAOYSA-N
MW256.33 g/mol
LogP3.71
Rot. Bonds2

About 2-[4-(methylamino)phenyl]-1,3-benzothiazol-4-ol

2-[4-(methylamino)phenyl]-1,3-benzothiazol-4-ol (PubChem CID 42603587) has the molecular formula C14H12N2OS and a molecular weight of 256.33 g/mol. Its IUPAC name is 2-[4-(methylamino)phenyl]-1,3-benzothiazol-4-ol.

Molecular Properties

Compound Name2-[4-(methylamino)phenyl]-1,3-benzothiazol-4-ol
PubChem CID42603587
Molecular FormulaC14H12N2OS
Molecular Weight256.33 g/mol
Exact Mass256.07
IUPAC Name2-[4-(methylamino)phenyl]-1,3-benzothiazol-4-ol
SMILESCNc1ccc(-c2nc3c(O)cccc3s2)cc1
InChIInChI=1S/C14H12N2OS/c1-15-10-7-5-9(6-8-10)14-16-13-11(17)3-2-4-12(13)18-14/h2-8,15,17H,1H3
InChIKeyIJBBUIGLTVTLJV-UHFFFAOYSA-N
XLogP3.71
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(methylamino)phenyl]-1,3-benzothiazol-4-ol?
The IUPAC name of 2-[4-(methylamino)phenyl]-1,3-benzothiazol-4-ol (CID 42603587) is 2-[4-(methylamino)phenyl]-1,3-benzothiazol-4-ol.
What is the SMILES notation for 2-[4-(methylamino)phenyl]-1,3-benzothiazol-4-ol?
The canonical SMILES for 2-[4-(methylamino)phenyl]-1,3-benzothiazol-4-ol is CNc1ccc(-c2nc3c(O)cccc3s2)cc1.
What is the InChIKey of 2-[4-(methylamino)phenyl]-1,3-benzothiazol-4-ol?
The InChIKey is IJBBUIGLTVTLJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2OS/c1-15-10-7-5-9(6-8-10)14-16-13-11(17)3-2-4-12(13)18-14/h2-8,15,17H,1H3.
What are the key properties of 2-[4-(methylamino)phenyl]-1,3-benzothiazol-4-ol?
2-[4-(methylamino)phenyl]-1,3-benzothiazol-4-ol has a molecular weight of 256.33 g/mol, XLogP of 3.71, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methylamino)phenyl]-1,3-benzothiazol-4-ol is sourced from PubChem (CID 42603587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).