4-methyl-2-(propylamino)benzo[e][1,3]benzothiazol-5-ol

C15H16N2OS — CID 45120026

IUPAC4-methyl-2-(propylamino)benzo[e][1,3]benzothiazol-5-ol
SMILESCCCNc1nc2c(s1)c(C)c(O)c1ccccc12
InChIInChI=1S/C15H16N2OS/c1-3-8-16-15-17-12-10-6-4-5-7-11(10)13(18)9(2)14(12)19-15/h4-7,18H,3,8H2,1-2H3,(H,16,17)
InChIKeyPSQFOBHZKKNWCD-UHFFFAOYSA-N
MW272.37 g/mol
LogP4.29
Rot. Bonds3

About 4-methyl-2-(propylamino)benzo[e][1,3]benzothiazol-5-ol

4-methyl-2-(propylamino)benzo[e][1,3]benzothiazol-5-ol (PubChem CID 45120026) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is 4-methyl-2-(propylamino)benzo[e][1,3]benzothiazol-5-ol.

Molecular Properties

Compound Name4-methyl-2-(propylamino)benzo[e][1,3]benzothiazol-5-ol
PubChem CID45120026
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC Name4-methyl-2-(propylamino)benzo[e][1,3]benzothiazol-5-ol
SMILESCCCNc1nc2c(s1)c(C)c(O)c1ccccc12
InChIInChI=1S/C15H16N2OS/c1-3-8-16-15-17-12-10-6-4-5-7-11(10)13(18)9(2)14(12)19-15/h4-7,18H,3,8H2,1-2H3,(H,16,17)
InChIKeyPSQFOBHZKKNWCD-UHFFFAOYSA-N
XLogP4.29
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-methyl-2-(propylamino)benzo[e][1,3]benzothiazol-5-ol 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 4-methyl-2-(propylamino)benzo[e][1,3]benzothiazol-5-ol?
The IUPAC name of 4-methyl-2-(propylamino)benzo[e][1,3]benzothiazol-5-ol (CID 45120026) is 4-methyl-2-(propylamino)benzo[e][1,3]benzothiazol-5-ol.
What is the SMILES notation for 4-methyl-2-(propylamino)benzo[e][1,3]benzothiazol-5-ol?
The canonical SMILES for 4-methyl-2-(propylamino)benzo[e][1,3]benzothiazol-5-ol is CCCNc1nc2c(s1)c(C)c(O)c1ccccc12.
What is the InChIKey of 4-methyl-2-(propylamino)benzo[e][1,3]benzothiazol-5-ol?
The InChIKey is PSQFOBHZKKNWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c1-3-8-16-15-17-12-10-6-4-5-7-11(10)13(18)9(2)14(12)19-15/h4-7,18H,3,8H2,1-2H3,(H,16,17).
What are the key properties of 4-methyl-2-(propylamino)benzo[e][1,3]benzothiazol-5-ol?
4-methyl-2-(propylamino)benzo[e][1,3]benzothiazol-5-ol has a molecular weight of 272.37 g/mol, XLogP of 4.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(propylamino)benzo[e][1,3]benzothiazol-5-ol is sourced from PubChem (CID 45120026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).