(2R)-2-[(E)-2-(4-methoxyphenyl)ethenyl]-2,3-dihydro-1,3-benzothiazole

C16H15NOS — CID 40527211

IUPAC(2R)-2-[(E)-2-(4-methoxyphenyl)ethenyl]-2,3-dihydro-1,3-benzothiazole
SMILESCOc1ccc(/C=C/[C@@H]2Nc3ccccc3S2)cc1
InChIInChI=1S/C16H15NOS/c1-18-13-9-6-12(7-10-13)8-11-16-17-14-4-2-3-5-15(14)19-16/h2-11,16-17H,1H3/b11-8+/t16-/m1/s1
InChIKeyNDVYCSAMSKZORC-YCABEKBOSA-N
MW269.37 g/mol
LogP4.25
Rot. Bonds3

About (2R)-2-[(E)-2-(4-methoxyphenyl)ethenyl]-2,3-dihydro-1,3-benzothiazole

(2R)-2-[(E)-2-(4-methoxyphenyl)ethenyl]-2,3-dihydro-1,3-benzothiazole (PubChem CID 40527211) has the molecular formula C16H15NOS and a molecular weight of 269.37 g/mol. Its IUPAC name is (2R)-2-[(E)-2-(4-methoxyphenyl)ethenyl]-2,3-dihydro-1,3-benzothiazole.

Molecular Properties

Compound Name(2R)-2-[(E)-2-(4-methoxyphenyl)ethenyl]-2,3-dihydro-1,3-benzothiazole
PubChem CID40527211
Molecular FormulaC16H15NOS
Molecular Weight269.37 g/mol
Exact Mass269.09
IUPAC Name(2R)-2-[(E)-2-(4-methoxyphenyl)ethenyl]-2,3-dihydro-1,3-benzothiazole
SMILESCOc1ccc(/C=C/[C@@H]2Nc3ccccc3S2)cc1
InChIInChI=1S/C16H15NOS/c1-18-13-9-6-12(7-10-13)8-11-16-17-14-4-2-3-5-15(14)19-16/h2-11,16-17H,1H3/b11-8+/t16-/m1/s1
InChIKeyNDVYCSAMSKZORC-YCABEKBOSA-N
XLogP4.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxyphenyl)-2,3,4,5-tetrahydro-1,5-benzothiazepine-3,4-diol
CID 78076222
1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
(3R)-3-(4-methoxyphenyl)-3,4-dihydro-2H-1,4-benzothiazine
CID 132552157
1-methoxy-4-(4-phenylbuta-1,3-dienyl)benzene
CID 4560156
1-[(Z)-2-bromoethenyl]-4-methoxybenzene
CID 6166616
1,2-bis[(1E)-4-(4-methoxyphenyl)buta-1,3-dienyl]benzene
CID 53491376
1-methoxy-4-[2-[4-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]phenyl]ethenyl]benzene
CID 54482883
1-methoxy-4-prop-1-enylbenzene
CID 67322568
(2S)-2-[(2R)-2,3-dihydro-1,3-benzothiazol-2-yl]-2,3-dihydro-1,3-benzothiazole
CID 92543565
[(E)-1-methoxy-3-(4-methoxyphenyl)prop-2-enylidene]chromium
CID 11349156
4-hydroxy-5-(4-methoxyphenyl)-2-[(E)-2-phenylethenyl]cyclopent-4-ene-1,3-dione
CID 21480180
[2-(4-methoxyphenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-3-yl] methanesulfonate
CID 19022662

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(E)-2-(4-methoxyphenyl)ethenyl]-2,3-dihydro-1,3-benzothiazole?
The IUPAC name of (2R)-2-[(E)-2-(4-methoxyphenyl)ethenyl]-2,3-dihydro-1,3-benzothiazole (CID 40527211) is (2R)-2-[(E)-2-(4-methoxyphenyl)ethenyl]-2,3-dihydro-1,3-benzothiazole.
What is the SMILES notation for (2R)-2-[(E)-2-(4-methoxyphenyl)ethenyl]-2,3-dihydro-1,3-benzothiazole?
The canonical SMILES for (2R)-2-[(E)-2-(4-methoxyphenyl)ethenyl]-2,3-dihydro-1,3-benzothiazole is COc1ccc(/C=C/[C@@H]2Nc3ccccc3S2)cc1.
What is the InChIKey of (2R)-2-[(E)-2-(4-methoxyphenyl)ethenyl]-2,3-dihydro-1,3-benzothiazole?
The InChIKey is NDVYCSAMSKZORC-YCABEKBOSA-N. The full InChI is InChI=1S/C16H15NOS/c1-18-13-9-6-12(7-10-13)8-11-16-17-14-4-2-3-5-15(14)19-16/h2-11,16-17H,1H3/b11-8+/t16-/m1/s1.
What are the key properties of (2R)-2-[(E)-2-(4-methoxyphenyl)ethenyl]-2,3-dihydro-1,3-benzothiazole?
(2R)-2-[(E)-2-(4-methoxyphenyl)ethenyl]-2,3-dihydro-1,3-benzothiazole has a molecular weight of 269.37 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(E)-2-(4-methoxyphenyl)ethenyl]-2,3-dihydro-1,3-benzothiazole is sourced from PubChem (CID 40527211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).