2-(1,3-benzothiazol-2-ylamino)-1-phenylethanol

C15H14N2OS — CID 650649

IUPAC2-(1,3-benzothiazol-2-ylamino)-1-phenylethanol
SMILESOC(CNc1nc2ccccc2s1)c1ccccc1
InChIInChI=1S/C15H14N2OS/c18-13(11-6-2-1-3-7-11)10-16-15-17-12-8-4-5-9-14(12)19-15/h1-9,13,18H,10H2,(H,16,17)
InChIKeyGVRJYRFADFVIIK-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.44
Rot. Bonds4

About 2-(1,3-benzothiazol-2-ylamino)-1-phenylethanol

2-(1,3-benzothiazol-2-ylamino)-1-phenylethanol (PubChem CID 650649) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-ylamino)-1-phenylethanol.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-ylamino)-1-phenylethanol
PubChem CID650649
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC Name2-(1,3-benzothiazol-2-ylamino)-1-phenylethanol
SMILESOC(CNc1nc2ccccc2s1)c1ccccc1
InChIInChI=1S/C15H14N2OS/c18-13(11-6-2-1-3-7-11)10-16-15-17-12-8-4-5-9-14(12)19-15/h1-9,13,18H,10H2,(H,16,17)
InChIKeyGVRJYRFADFVIIK-UHFFFAOYSA-N
XLogP3.44
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-ylamino)-1-phenylethanol?
The IUPAC name of 2-(1,3-benzothiazol-2-ylamino)-1-phenylethanol (CID 650649) is 2-(1,3-benzothiazol-2-ylamino)-1-phenylethanol.
What is the SMILES notation for 2-(1,3-benzothiazol-2-ylamino)-1-phenylethanol?
The canonical SMILES for 2-(1,3-benzothiazol-2-ylamino)-1-phenylethanol is OC(CNc1nc2ccccc2s1)c1ccccc1.
What is the InChIKey of 2-(1,3-benzothiazol-2-ylamino)-1-phenylethanol?
The InChIKey is GVRJYRFADFVIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS/c18-13(11-6-2-1-3-7-11)10-16-15-17-12-8-4-5-9-14(12)19-15/h1-9,13,18H,10H2,(H,16,17).
What are the key properties of 2-(1,3-benzothiazol-2-ylamino)-1-phenylethanol?
2-(1,3-benzothiazol-2-ylamino)-1-phenylethanol has a molecular weight of 270.36 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-ylamino)-1-phenylethanol is sourced from PubChem (CID 650649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).