2-[4-(4-ethoxyphenyl)phenyl]-6-methoxy-1,3-benzothiazole

C22H19NO2S — CID 146253203

IUPAC2-[4-(4-ethoxyphenyl)phenyl]-6-methoxy-1,3-benzothiazole
SMILESCCOc1ccc(-c2ccc(-c3nc4ccc(OC)cc4s3)cc2)cc1
InChIInChI=1S/C22H19NO2S/c1-3-25-18-10-8-16(9-11-18)15-4-6-17(7-5-15)22-23-20-13-12-19(24-2)14-21(20)26-22/h4-14H,3H2,1-2H3
InChIKeyUEIIPYXEMNLBBP-UHFFFAOYSA-N
MW361.47 g/mol
LogP6.04
Rot. Bonds5

About 2-[4-(4-ethoxyphenyl)phenyl]-6-methoxy-1,3-benzothiazole

2-[4-(4-ethoxyphenyl)phenyl]-6-methoxy-1,3-benzothiazole (PubChem CID 146253203) has the molecular formula C22H19NO2S and a molecular weight of 361.47 g/mol. Its IUPAC name is 2-[4-(4-ethoxyphenyl)phenyl]-6-methoxy-1,3-benzothiazole.

Molecular Properties

Compound Name2-[4-(4-ethoxyphenyl)phenyl]-6-methoxy-1,3-benzothiazole
PubChem CID146253203
Molecular FormulaC22H19NO2S
Molecular Weight361.47 g/mol
Exact Mass361.11
IUPAC Name2-[4-(4-ethoxyphenyl)phenyl]-6-methoxy-1,3-benzothiazole
SMILESCCOc1ccc(-c2ccc(-c3nc4ccc(OC)cc4s3)cc2)cc1
InChIInChI=1S/C22H19NO2S/c1-3-25-18-10-8-16(9-11-18)15-4-6-17(7-5-15)22-23-20-13-12-19(24-2)14-21(20)26-22/h4-14H,3H2,1-2H3
InChIKeyUEIIPYXEMNLBBP-UHFFFAOYSA-N
XLogP6.04
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.47
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-tert-butylphenyl)-6-methoxy-1,3-benzothiazole
CID 101474681
N-ethyl-5-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]pyridin-2-amine
CID 146253209
6-methoxy-2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazole
CID 11255311
2-(4-methoxyphenyl)-6-methyl-1,3-benzothiazole
CID 12939261
6-methoxy-2-[4-[10-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]anthracen-9-yl]phenyl]-1,3-benzothiazole
CID 22960185
2,6-bis(4-methoxyphenyl)-[1,3]thiazolo[4,5-f][1,3]benzothiazole
CID 58983612
6-dodecoxy-2-(4-dodecoxyphenyl)-1,3-benzothiazole
CID 102049010
5-(6-methoxy-1,3-benzothiazol-2-yl)pyrimidin-2-amine
CID 24804069
2,6-dichloro-4-(6-methoxy-1,3-benzothiazol-2-yl)aniline
CID 82830716
2-[3-(chloromethyl)phenyl]-6-methoxy-1,3-benzothiazole
CID 79518402
4-(6-ethoxy-1,3-benzothiazol-2-yl)pyridin-2-amine
CID 79519060
N-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]acetamide
CID 46845966

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-ethoxyphenyl)phenyl]-6-methoxy-1,3-benzothiazole?
The IUPAC name of 2-[4-(4-ethoxyphenyl)phenyl]-6-methoxy-1,3-benzothiazole (CID 146253203) is 2-[4-(4-ethoxyphenyl)phenyl]-6-methoxy-1,3-benzothiazole.
What is the SMILES notation for 2-[4-(4-ethoxyphenyl)phenyl]-6-methoxy-1,3-benzothiazole?
The canonical SMILES for 2-[4-(4-ethoxyphenyl)phenyl]-6-methoxy-1,3-benzothiazole is CCOc1ccc(-c2ccc(-c3nc4ccc(OC)cc4s3)cc2)cc1.
What is the InChIKey of 2-[4-(4-ethoxyphenyl)phenyl]-6-methoxy-1,3-benzothiazole?
The InChIKey is UEIIPYXEMNLBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO2S/c1-3-25-18-10-8-16(9-11-18)15-4-6-17(7-5-15)22-23-20-13-12-19(24-2)14-21(20)26-22/h4-14H,3H2,1-2H3.
What are the key properties of 2-[4-(4-ethoxyphenyl)phenyl]-6-methoxy-1,3-benzothiazole?
2-[4-(4-ethoxyphenyl)phenyl]-6-methoxy-1,3-benzothiazole has a molecular weight of 361.47 g/mol, XLogP of 6.04, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-ethoxyphenyl)phenyl]-6-methoxy-1,3-benzothiazole is sourced from PubChem (CID 146253203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).