2-(2-methylimino-1,3-benzothiazol-3-yl)-1-phenylethanol

C16H16N2OS — CID 3101506

IUPAC2-(2-methylimino-1,3-benzothiazol-3-yl)-1-phenylethanol
SMILESC/N=c1\sc2ccccc2n1CC(O)c1ccccc1
InChIInChI=1S/C16H16N2OS/c1-17-16-18(13-9-5-6-10-15(13)20-16)11-14(19)12-7-3-2-4-8-12/h2-10,14,19H,11H2,1H3/b17-16-
InChIKeySZFADAJLSVNMSW-MSUUIHNZSA-N
MW284.38 g/mol
LogP2.97
Rot. Bonds3

About 2-(2-methylimino-1,3-benzothiazol-3-yl)-1-phenylethanol

2-(2-methylimino-1,3-benzothiazol-3-yl)-1-phenylethanol (PubChem CID 3101506) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-(2-methylimino-1,3-benzothiazol-3-yl)-1-phenylethanol.

Molecular Properties

Compound Name2-(2-methylimino-1,3-benzothiazol-3-yl)-1-phenylethanol
PubChem CID3101506
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC Name2-(2-methylimino-1,3-benzothiazol-3-yl)-1-phenylethanol
SMILESC/N=c1\sc2ccccc2n1CC(O)c1ccccc1
InChIInChI=1S/C16H16N2OS/c1-17-16-18(13-9-5-6-10-15(13)20-16)11-14(19)12-7-3-2-4-8-12/h2-10,14,19H,11H2,1H3/b17-16-
InChIKeySZFADAJLSVNMSW-MSUUIHNZSA-N
XLogP2.97
TPSA37.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylimino-1,3-benzothiazol-3-yl)-1-phenylethanol?
The IUPAC name of 2-(2-methylimino-1,3-benzothiazol-3-yl)-1-phenylethanol (CID 3101506) is 2-(2-methylimino-1,3-benzothiazol-3-yl)-1-phenylethanol.
What is the SMILES notation for 2-(2-methylimino-1,3-benzothiazol-3-yl)-1-phenylethanol?
The canonical SMILES for 2-(2-methylimino-1,3-benzothiazol-3-yl)-1-phenylethanol is C/N=c1\sc2ccccc2n1CC(O)c1ccccc1.
What is the InChIKey of 2-(2-methylimino-1,3-benzothiazol-3-yl)-1-phenylethanol?
The InChIKey is SZFADAJLSVNMSW-MSUUIHNZSA-N. The full InChI is InChI=1S/C16H16N2OS/c1-17-16-18(13-9-5-6-10-15(13)20-16)11-14(19)12-7-3-2-4-8-12/h2-10,14,19H,11H2,1H3/b17-16-.
What are the key properties of 2-(2-methylimino-1,3-benzothiazol-3-yl)-1-phenylethanol?
2-(2-methylimino-1,3-benzothiazol-3-yl)-1-phenylethanol has a molecular weight of 284.38 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylimino-1,3-benzothiazol-3-yl)-1-phenylethanol is sourced from PubChem (CID 3101506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).