2-[2-(3-ethoxyphenyl)ethenyl]-1,3-benzothiazole

C17H15NOS — CID 75890376

IUPAC2-[2-(3-ethoxyphenyl)ethenyl]-1,3-benzothiazole
SMILESCCOc1cccc(C=Cc2nc3ccccc3s2)c1
InChIInChI=1S/C17H15NOS/c1-2-19-14-7-5-6-13(12-14)10-11-17-18-15-8-3-4-9-16(15)20-17/h3-12H,2H2,1H3
InChIKeySGNIVUBSDWURNQ-UHFFFAOYSA-N
MW281.38 g/mol
LogP4.87
Rot. Bonds4

About 2-[2-(3-ethoxyphenyl)ethenyl]-1,3-benzothiazole

2-[2-(3-ethoxyphenyl)ethenyl]-1,3-benzothiazole (PubChem CID 75890376) has the molecular formula C17H15NOS and a molecular weight of 281.38 g/mol. Its IUPAC name is 2-[2-(3-ethoxyphenyl)ethenyl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[2-(3-ethoxyphenyl)ethenyl]-1,3-benzothiazole
PubChem CID75890376
Molecular FormulaC17H15NOS
Molecular Weight281.38 g/mol
Exact Mass281.09
IUPAC Name2-[2-(3-ethoxyphenyl)ethenyl]-1,3-benzothiazole
SMILESCCOc1cccc(C=Cc2nc3ccccc3s2)c1
InChIInChI=1S/C17H15NOS/c1-2-19-14-7-5-6-13(12-14)10-11-17-18-15-8-3-4-9-16(15)20-17/h3-12H,2H2,1H3
InChIKeySGNIVUBSDWURNQ-UHFFFAOYSA-N
XLogP4.87
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(3-nitrophenyl)ethenyl]-1,3-benzothiazole
CID 3408121
2-[2-(3-methoxy-4-phenylmethoxyphenyl)ethenyl]-1,3-benzothiazole
CID 5140062
2-[4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]-2-bromo-6-ethoxyphenoxy]acetamide
CID 17437785
2-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]phenyl]ethenyl]-2,5-dimethoxyphenyl]ethenyl]phenyl]ethenyl]-1,3-benzothiazole
CID 20727321
4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]-2,6-dimethoxyphenol
CID 135519915
2-[4-[(Z)-2-(1,3-benzothiazol-2-yl)ethenyl]-2-methoxyphenoxy]acetic acid
CID 92945317
2-[(E)-2-[4-(diethoxyphosphorylmethyl)phenyl]ethenyl]-1,3-benzothiazole
CID 15738670
2-[4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]-2-chloro-6-ethoxyphenoxy]-N,N-dimethylacetamide
CID 6213138
2-[(E)-2-methoxyethenyl]-1,3-benzothiazole
CID 90475649
2-[(E)-2-[3-methoxy-4-(3-methylbutoxy)phenyl]ethenyl]-1,3-benzothiazole
CID 6183540
4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]-N,N,2-trimethylaniline
CID 53315247
2-[(E)-2-(3-methoxy-4-methylsulfanylphenyl)ethenyl]-1,3-benzothiazole
CID 60603984

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-ethoxyphenyl)ethenyl]-1,3-benzothiazole?
The IUPAC name of 2-[2-(3-ethoxyphenyl)ethenyl]-1,3-benzothiazole (CID 75890376) is 2-[2-(3-ethoxyphenyl)ethenyl]-1,3-benzothiazole.
What is the SMILES notation for 2-[2-(3-ethoxyphenyl)ethenyl]-1,3-benzothiazole?
The canonical SMILES for 2-[2-(3-ethoxyphenyl)ethenyl]-1,3-benzothiazole is CCOc1cccc(C=Cc2nc3ccccc3s2)c1.
What is the InChIKey of 2-[2-(3-ethoxyphenyl)ethenyl]-1,3-benzothiazole?
The InChIKey is SGNIVUBSDWURNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NOS/c1-2-19-14-7-5-6-13(12-14)10-11-17-18-15-8-3-4-9-16(15)20-17/h3-12H,2H2,1H3.
What are the key properties of 2-[2-(3-ethoxyphenyl)ethenyl]-1,3-benzothiazole?
2-[2-(3-ethoxyphenyl)ethenyl]-1,3-benzothiazole has a molecular weight of 281.38 g/mol, XLogP of 4.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-ethoxyphenyl)ethenyl]-1,3-benzothiazole is sourced from PubChem (CID 75890376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).