[2-[4-(methylamino)phenyl]-1,3-benzothiazol-6-yl]methanol

C15H14N2OS — CID 59989375

IUPAC[2-[4-(methylamino)phenyl]-1,3-benzothiazol-6-yl]methanol
SMILESCNc1ccc(-c2nc3ccc(CO)cc3s2)cc1
InChIInChI=1S/C15H14N2OS/c1-16-12-5-3-11(4-6-12)15-17-13-7-2-10(9-18)8-14(13)19-15/h2-8,16,18H,9H2,1H3
InChIKeyFTYIEJOUAMLZTN-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.50
Rot. Bonds3

About [2-[4-(methylamino)phenyl]-1,3-benzothiazol-6-yl]methanol

[2-[4-(methylamino)phenyl]-1,3-benzothiazol-6-yl]methanol (PubChem CID 59989375) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is [2-[4-(methylamino)phenyl]-1,3-benzothiazol-6-yl]methanol.

Molecular Properties

Compound Name[2-[4-(methylamino)phenyl]-1,3-benzothiazol-6-yl]methanol
PubChem CID59989375
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC Name[2-[4-(methylamino)phenyl]-1,3-benzothiazol-6-yl]methanol
SMILESCNc1ccc(-c2nc3ccc(CO)cc3s2)cc1
InChIInChI=1S/C15H14N2OS/c1-16-12-5-3-11(4-6-12)15-17-13-7-2-10(9-18)8-14(13)19-15/h2-8,16,18H,9H2,1H3
InChIKeyFTYIEJOUAMLZTN-UHFFFAOYSA-N
XLogP3.50
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-[4-(methylamino)phenyl]-1,3-benzothiazol-6-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-[4-(methylamino)phenyl]-1,3-benzothiazol-6-yl]methanol?
The IUPAC name of [2-[4-(methylamino)phenyl]-1,3-benzothiazol-6-yl]methanol (CID 59989375) is [2-[4-(methylamino)phenyl]-1,3-benzothiazol-6-yl]methanol.
What is the SMILES notation for [2-[4-(methylamino)phenyl]-1,3-benzothiazol-6-yl]methanol?
The canonical SMILES for [2-[4-(methylamino)phenyl]-1,3-benzothiazol-6-yl]methanol is CNc1ccc(-c2nc3ccc(CO)cc3s2)cc1.
What is the InChIKey of [2-[4-(methylamino)phenyl]-1,3-benzothiazol-6-yl]methanol?
The InChIKey is FTYIEJOUAMLZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS/c1-16-12-5-3-11(4-6-12)15-17-13-7-2-10(9-18)8-14(13)19-15/h2-8,16,18H,9H2,1H3.
What are the key properties of [2-[4-(methylamino)phenyl]-1,3-benzothiazol-6-yl]methanol?
[2-[4-(methylamino)phenyl]-1,3-benzothiazol-6-yl]methanol has a molecular weight of 270.36 g/mol, XLogP of 3.50, 3 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-6-yl]methanol is sourced from PubChem (CID 59989375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).