2-[1-(1,3-benzothiazol-2-yl)-2-(2,4-dimethoxyphenyl)ethenyl]-1,3-benzothiazole

C24H18N2O2S2 — CID 4650830

IUPAC2-[1-(1,3-benzothiazol-2-yl)-2-(2,4-dimethoxyphenyl)ethenyl]-1,3-benzothiazole
SMILESCOc1ccc(C=C(c2nc3ccccc3s2)c2nc3ccccc3s2)c(OC)c1
InChIInChI=1S/C24H18N2O2S2/c1-27-16-12-11-15(20(14-16)28-2)13-17(23-25-18-7-3-5-9-21(18)29-23)24-26-19-8-4-6-10-22(19)30-24/h3-14H,1-2H3
InChIKeyGSDWYTKKKRCBHS-UHFFFAOYSA-N
MW430.55 g/mol
LogP6.51
Rot. Bonds5

About 2-[1-(1,3-benzothiazol-2-yl)-2-(2,4-dimethoxyphenyl)ethenyl]-1,3-benzothiazole

2-[1-(1,3-benzothiazol-2-yl)-2-(2,4-dimethoxyphenyl)ethenyl]-1,3-benzothiazole (PubChem CID 4650830) has the molecular formula C24H18N2O2S2 and a molecular weight of 430.55 g/mol. Its IUPAC name is 2-[1-(1,3-benzothiazol-2-yl)-2-(2,4-dimethoxyphenyl)ethenyl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[1-(1,3-benzothiazol-2-yl)-2-(2,4-dimethoxyphenyl)ethenyl]-1,3-benzothiazole
PubChem CID4650830
Molecular FormulaC24H18N2O2S2
Molecular Weight430.55 g/mol
Exact Mass430.08
IUPAC Name2-[1-(1,3-benzothiazol-2-yl)-2-(2,4-dimethoxyphenyl)ethenyl]-1,3-benzothiazole
SMILESCOc1ccc(C=C(c2nc3ccccc3s2)c2nc3ccccc3s2)c(OC)c1
InChIInChI=1S/C24H18N2O2S2/c1-27-16-12-11-15(20(14-16)28-2)13-17(23-25-18-7-3-5-9-21(18)29-23)24-26-19-8-4-6-10-22(19)30-24/h3-14H,1-2H3
InChIKeyGSDWYTKKKRCBHS-UHFFFAOYSA-N
XLogP6.51
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.55
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1,3-benzothiazol-2-yl)-3-(6-methoxynaphthalen-2-yl)prop-2-enenitrile
CID 4815920
4-[(Z)-2-(1,3-benzothiazol-2-yl)-2-chloroethenyl]-2,6-dimethoxyphenol
CID 135771332
2-(1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)-1-phenylprop-2-en-1-one
CID 2873903
(E)-N-(1,3-benzothiazol-2-ylmethyl)-3-(2,4-dimethoxyphenyl)prop-2-enamide
CID 38283573
(E)-4-(1,3-benzothiazol-2-yl)-5-(2,4,5-trimethoxyphenyl)pent-4-enoic acid
CID 6224052
(Z)-2-(1,3-benzothiazol-2-yl)-3-(3-methoxyphenyl)prop-2-enenitrile
CID 92861139
3-(1,3-benzothiazol-2-yl)-4-(2-methoxyphenyl)but-3-enoic acid
CID 3528888
N-(1,3-benzothiazol-2-yl)-N'-[(2,4-dimethoxyphenyl)methylideneamino]oxamide
CID 3692381
(E)-N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-3-(2,4-dimethoxyphenyl)-N-methylprop-2-enamide
CID 9406199
2-(1,3-benzothiazol-2-yl)-3-(3-methoxy-4-methylphenyl)prop-2-enenitrile
CID 3156923
N-(4-methoxyphenyl)-1,3-benzothiazole-2-carboxamide
CID 724615
(5Z)-2-(1,3-benzothiazol-2-ylimino)-5-[(2,4-dimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 161203025

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1,3-benzothiazol-2-yl)-2-(2,4-dimethoxyphenyl)ethenyl]-1,3-benzothiazole?
The IUPAC name of 2-[1-(1,3-benzothiazol-2-yl)-2-(2,4-dimethoxyphenyl)ethenyl]-1,3-benzothiazole (CID 4650830) is 2-[1-(1,3-benzothiazol-2-yl)-2-(2,4-dimethoxyphenyl)ethenyl]-1,3-benzothiazole.
What is the SMILES notation for 2-[1-(1,3-benzothiazol-2-yl)-2-(2,4-dimethoxyphenyl)ethenyl]-1,3-benzothiazole?
The canonical SMILES for 2-[1-(1,3-benzothiazol-2-yl)-2-(2,4-dimethoxyphenyl)ethenyl]-1,3-benzothiazole is COc1ccc(C=C(c2nc3ccccc3s2)c2nc3ccccc3s2)c(OC)c1.
What is the InChIKey of 2-[1-(1,3-benzothiazol-2-yl)-2-(2,4-dimethoxyphenyl)ethenyl]-1,3-benzothiazole?
The InChIKey is GSDWYTKKKRCBHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O2S2/c1-27-16-12-11-15(20(14-16)28-2)13-17(23-25-18-7-3-5-9-21(18)29-23)24-26-19-8-4-6-10-22(19)30-24/h3-14H,1-2H3.
What are the key properties of 2-[1-(1,3-benzothiazol-2-yl)-2-(2,4-dimethoxyphenyl)ethenyl]-1,3-benzothiazole?
2-[1-(1,3-benzothiazol-2-yl)-2-(2,4-dimethoxyphenyl)ethenyl]-1,3-benzothiazole has a molecular weight of 430.55 g/mol, XLogP of 6.51, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1,3-benzothiazol-2-yl)-2-(2,4-dimethoxyphenyl)ethenyl]-1,3-benzothiazole is sourced from PubChem (CID 4650830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).