6-[2-[(E)-2-phenylethenyl]-3-pyridinyl]-1,3-benzothiazole

C20H14N2S — CID 118437898

IUPAC6-[2-[(E)-2-phenylethenyl]-3-pyridinyl]-1,3-benzothiazole
SMILESC(=C/c1ncccc1-c1ccc2ncsc2c1)\c1ccccc1
InChIInChI=1S/C20H14N2S/c1-2-5-15(6-3-1)8-10-18-17(7-4-12-21-18)16-9-11-19-20(13-16)23-14-22-19/h1-14H/b10-8+
InChIKeyDNIZFMDNHMELMM-CSKARUKUSA-N
MW314.41 g/mol
LogP5.53
Rot. Bonds3

About 6-[2-[(E)-2-phenylethenyl]-3-pyridinyl]-1,3-benzothiazole

6-[2-[(E)-2-phenylethenyl]-3-pyridinyl]-1,3-benzothiazole (PubChem CID 118437898) has the molecular formula C20H14N2S and a molecular weight of 314.41 g/mol. Its IUPAC name is 6-[2-[(E)-2-phenylethenyl]-3-pyridinyl]-1,3-benzothiazole.

Molecular Properties

Compound Name6-[2-[(E)-2-phenylethenyl]-3-pyridinyl]-1,3-benzothiazole
PubChem CID118437898
Molecular FormulaC20H14N2S
Molecular Weight314.41 g/mol
Exact Mass314.09
IUPAC Name6-[2-[(E)-2-phenylethenyl]-3-pyridinyl]-1,3-benzothiazole
SMILESC(=C/c1ncccc1-c1ccc2ncsc2c1)\c1ccccc1
InChIInChI=1S/C20H14N2S/c1-2-5-15(6-3-1)8-10-18-17(7-4-12-21-18)16-9-11-19-20(13-16)23-14-22-19/h1-14H/b10-8+
InChIKeyDNIZFMDNHMELMM-CSKARUKUSA-N
XLogP5.53
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.41
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-[2-(4-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole
CID 90094461
3-phenyl-2-[2-(3-phenyl-2-pyridinyl)ethenyl]pyridine
CID 170983866
6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1,3-benzothiazole
CID 90094679
3-phenyl-2-[2-[2-[2-(3-phenyl-2-pyridinyl)ethenyl]phenyl]ethenyl]pyridine
CID 58251370
6-fluoranthen-3-yl-1,3-benzothiazole
CID 121287541
2,3-bis[(E)-2-phenylethenyl]pyrazine
CID 15654808
(NE)-N-[[2-[(E)-2-phenylethenyl]-3-pyridinyl]methylidene]hydroxylamine
CID 162652329
6-(3-chlorophenyl)-1,3-benzothiazole
CID 166918051
6-(4-tert-butyl-3-pyridinyl)-1,3-benzothiazole
CID 165372322
5-(2-chlorophenyl)-1,3-benzothiazole
CID 178074687
6-(1H-pyrrol-2-yl)-1,3-benzothiazole
CID 67416063
2-[3-(1,3-benzothiazol-6-yl)-4-phenoxyphenoxy]ethanol
CID 69130869

Frequently Asked Questions

What is the IUPAC name of 6-[2-[(E)-2-phenylethenyl]-3-pyridinyl]-1,3-benzothiazole?
The IUPAC name of 6-[2-[(E)-2-phenylethenyl]-3-pyridinyl]-1,3-benzothiazole (CID 118437898) is 6-[2-[(E)-2-phenylethenyl]-3-pyridinyl]-1,3-benzothiazole.
What is the SMILES notation for 6-[2-[(E)-2-phenylethenyl]-3-pyridinyl]-1,3-benzothiazole?
The canonical SMILES for 6-[2-[(E)-2-phenylethenyl]-3-pyridinyl]-1,3-benzothiazole is C(=C/c1ncccc1-c1ccc2ncsc2c1)\c1ccccc1.
What is the InChIKey of 6-[2-[(E)-2-phenylethenyl]-3-pyridinyl]-1,3-benzothiazole?
The InChIKey is DNIZFMDNHMELMM-CSKARUKUSA-N. The full InChI is InChI=1S/C20H14N2S/c1-2-5-15(6-3-1)8-10-18-17(7-4-12-21-18)16-9-11-19-20(13-16)23-14-22-19/h1-14H/b10-8+.
What are the key properties of 6-[2-[(E)-2-phenylethenyl]-3-pyridinyl]-1,3-benzothiazole?
6-[2-[(E)-2-phenylethenyl]-3-pyridinyl]-1,3-benzothiazole has a molecular weight of 314.41 g/mol, XLogP of 5.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(E)-2-phenylethenyl]-3-pyridinyl]-1,3-benzothiazole is sourced from PubChem (CID 118437898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).