6-methoxy-N-phenyl-1,3-benzothiazol-2-amine

C14H12N2OS — CID 6622235

IUPAC6-methoxy-N-phenyl-1,3-benzothiazol-2-amine
SMILESCOc1ccc2nc(Nc3ccccc3)sc2c1
InChIInChI=1S/C14H12N2OS/c1-17-11-7-8-12-13(9-11)18-14(16-12)15-10-5-3-2-4-6-10/h2-9H,1H3,(H,15,16)
InChIKeyWFUYZYIHKRUKFV-UHFFFAOYSA-N
MW256.33 g/mol
LogP4.05
Rot. Bonds3

About 6-methoxy-N-phenyl-1,3-benzothiazol-2-amine

6-methoxy-N-phenyl-1,3-benzothiazol-2-amine (PubChem CID 6622235) has the molecular formula C14H12N2OS and a molecular weight of 256.33 g/mol. Its IUPAC name is 6-methoxy-N-phenyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-methoxy-N-phenyl-1,3-benzothiazol-2-amine
PubChem CID6622235
Molecular FormulaC14H12N2OS
Molecular Weight256.33 g/mol
Exact Mass256.07
IUPAC Name6-methoxy-N-phenyl-1,3-benzothiazol-2-amine
SMILESCOc1ccc2nc(Nc3ccccc3)sc2c1
InChIInChI=1S/C14H12N2OS/c1-17-11-7-8-12-13(9-11)18-14(16-12)15-10-5-3-2-4-6-10/h2-9H,1H3,(H,15,16)
InChIKeyWFUYZYIHKRUKFV-UHFFFAOYSA-N
XLogP4.05
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-phenyl-1,3-benzothiazol-2-amine?
The IUPAC name of 6-methoxy-N-phenyl-1,3-benzothiazol-2-amine (CID 6622235) is 6-methoxy-N-phenyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-methoxy-N-phenyl-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-methoxy-N-phenyl-1,3-benzothiazol-2-amine is COc1ccc2nc(Nc3ccccc3)sc2c1.
What is the InChIKey of 6-methoxy-N-phenyl-1,3-benzothiazol-2-amine?
The InChIKey is WFUYZYIHKRUKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2OS/c1-17-11-7-8-12-13(9-11)18-14(16-12)15-10-5-3-2-4-6-10/h2-9H,1H3,(H,15,16).
What are the key properties of 6-methoxy-N-phenyl-1,3-benzothiazol-2-amine?
6-methoxy-N-phenyl-1,3-benzothiazol-2-amine has a molecular weight of 256.33 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-phenyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 6622235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).