6-methoxy-6-phenyl-5,7-dihydro-4H-1,3-benzothiazol-2-amine

C14H16N2OS — CID 177359983

IUPAC6-methoxy-6-phenyl-5,7-dihydro-4H-1,3-benzothiazol-2-amine
SMILESCOC1(c2ccccc2)CCc2nc(N)sc2C1
InChIInChI=1S/C14H16N2OS/c1-17-14(10-5-3-2-4-6-10)8-7-11-12(9-14)18-13(15)16-11/h2-6H,7-9H2,1H3,(H2,15,16)
InChIKeyFLHXLASRSDQTPW-UHFFFAOYSA-N
MW260.36 g/mol
LogP2.76
Rot. Bonds2

About 6-methoxy-6-phenyl-5,7-dihydro-4H-1,3-benzothiazol-2-amine

6-methoxy-6-phenyl-5,7-dihydro-4H-1,3-benzothiazol-2-amine (PubChem CID 177359983) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is 6-methoxy-6-phenyl-5,7-dihydro-4H-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-methoxy-6-phenyl-5,7-dihydro-4H-1,3-benzothiazol-2-amine
PubChem CID177359983
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name6-methoxy-6-phenyl-5,7-dihydro-4H-1,3-benzothiazol-2-amine
SMILESCOC1(c2ccccc2)CCc2nc(N)sc2C1
InChIInChI=1S/C14H16N2OS/c1-17-14(10-5-3-2-4-6-10)8-7-11-12(9-14)18-13(15)16-11/h2-6H,7-9H2,1H3,(H2,15,16)
InChIKeyFLHXLASRSDQTPW-UHFFFAOYSA-N
XLogP2.76
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-6-phenyl-5,7-dihydro-4H-1,3-benzothiazol-2-amine?
The IUPAC name of 6-methoxy-6-phenyl-5,7-dihydro-4H-1,3-benzothiazol-2-amine (CID 177359983) is 6-methoxy-6-phenyl-5,7-dihydro-4H-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-methoxy-6-phenyl-5,7-dihydro-4H-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-methoxy-6-phenyl-5,7-dihydro-4H-1,3-benzothiazol-2-amine is COC1(c2ccccc2)CCc2nc(N)sc2C1.
What is the InChIKey of 6-methoxy-6-phenyl-5,7-dihydro-4H-1,3-benzothiazol-2-amine?
The InChIKey is FLHXLASRSDQTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-17-14(10-5-3-2-4-6-10)8-7-11-12(9-14)18-13(15)16-11/h2-6H,7-9H2,1H3,(H2,15,16).
What are the key properties of 6-methoxy-6-phenyl-5,7-dihydro-4H-1,3-benzothiazol-2-amine?
6-methoxy-6-phenyl-5,7-dihydro-4H-1,3-benzothiazol-2-amine has a molecular weight of 260.36 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-6-phenyl-5,7-dihydro-4H-1,3-benzothiazol-2-amine is sourced from PubChem (CID 177359983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).