2-[(E)-1-(1H-benzimidazol-2-yl)-2-(1-methylpyrazol-4-yl)ethenyl]-1,3-benzothiazole

C20H15N5S — CID 18141902

IUPAC2-[(E)-1-(1H-benzimidazol-2-yl)-2-(1-methylpyrazol-4-yl)ethenyl]-1,3-benzothiazole
SMILESCn1cc(/C=C(\c2nc3ccccc3[nH]2)c2nc3ccccc3s2)cn1
InChIInChI=1S/C20H15N5S/c1-25-12-13(11-21-25)10-14(19-22-15-6-2-3-7-16(15)23-19)20-24-17-8-4-5-9-18(17)26-20/h2-12H,1H3,(H,22,23)/b14-10+
InChIKeyMLSVNUIBVBXAOE-GXDHUFHOSA-N
MW357.44 g/mol
LogP4.49
Rot. Bonds3

About 2-[(E)-1-(1H-benzimidazol-2-yl)-2-(1-methylpyrazol-4-yl)ethenyl]-1,3-benzothiazole

2-[(E)-1-(1H-benzimidazol-2-yl)-2-(1-methylpyrazol-4-yl)ethenyl]-1,3-benzothiazole (PubChem CID 18141902) has the molecular formula C20H15N5S and a molecular weight of 357.44 g/mol. Its IUPAC name is 2-[(E)-1-(1H-benzimidazol-2-yl)-2-(1-methylpyrazol-4-yl)ethenyl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[(E)-1-(1H-benzimidazol-2-yl)-2-(1-methylpyrazol-4-yl)ethenyl]-1,3-benzothiazole
PubChem CID18141902
Molecular FormulaC20H15N5S
Molecular Weight357.44 g/mol
Exact Mass357.10
IUPAC Name2-[(E)-1-(1H-benzimidazol-2-yl)-2-(1-methylpyrazol-4-yl)ethenyl]-1,3-benzothiazole
SMILESCn1cc(/C=C(\c2nc3ccccc3[nH]2)c2nc3ccccc3s2)cn1
InChIInChI=1S/C20H15N5S/c1-25-12-13(11-21-25)10-14(19-22-15-6-2-3-7-16(15)23-19)20-24-17-8-4-5-9-18(17)26-20/h2-12H,1H3,(H,22,23)/b14-10+
InChIKeyMLSVNUIBVBXAOE-GXDHUFHOSA-N
XLogP4.49
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(E)-1-(1H-benzimidazol-2-yl)-2-(1-methylpyrazol-4-yl)ethenyl]-1,3-benzothiazole with MolForge

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Related Compounds

2-[(E)-1-(1H-benzimidazol-2-yl)-2-(4-chlorophenyl)ethenyl]-1,3-benzothiazole
CID 7912114
4-[(E)-2-(1H-benzimidazol-2-yl)-2-(1,3-benzothiazol-2-yl)ethenyl]benzoate
CID 7481175
2-[(Z)-1-(1H-benzimidazol-2-yl)-2-(2,3-dichlorophenyl)ethenyl]-1,3-benzothiazole
CID 6166335
2-[2-(4-methylphenyl)-1-phenylethenyl]-1,3-benzothiazole
CID 71321146
2-[1-(1,3-benzothiazol-2-yl)-2-(3-chlorophenyl)ethenyl]-1,3-benzothiazole
CID 4658351
4-[2,2-bis(1,3-benzothiazol-2-yl)ethenyl]-N,N-diethylaniline
CID 3626172
2-[1-(1,3-benzothiazol-2-yl)-2-(4-nitrophenyl)ethenyl]-1,3-benzothiazole
CID 3588337
2-(1H-benzimidazol-2-yl)-3-[5-(1,3-benzothiazol-2-yl)furan-2-yl]prop-2-enenitrile
CID 2958139
N-hydroxy-1,3-benzothiazole-2-carboximidoyl chloride
CID 137226109
N-(1,3-benzothiazol-2-yl)-1-methylpyrazole-4-carboxamide
CID 35294982
1H-benzimidazole-2-carboxylic acid;cadmium
CID 174957595
N-(1,3-benzothiazol-2-ylmethylideneamino)-N'-(4-methylphenyl)-1H-benzimidazole-2-carboximidamide
CID 5230876

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-1-(1H-benzimidazol-2-yl)-2-(1-methylpyrazol-4-yl)ethenyl]-1,3-benzothiazole?
The IUPAC name of 2-[(E)-1-(1H-benzimidazol-2-yl)-2-(1-methylpyrazol-4-yl)ethenyl]-1,3-benzothiazole (CID 18141902) is 2-[(E)-1-(1H-benzimidazol-2-yl)-2-(1-methylpyrazol-4-yl)ethenyl]-1,3-benzothiazole.
What is the SMILES notation for 2-[(E)-1-(1H-benzimidazol-2-yl)-2-(1-methylpyrazol-4-yl)ethenyl]-1,3-benzothiazole?
The canonical SMILES for 2-[(E)-1-(1H-benzimidazol-2-yl)-2-(1-methylpyrazol-4-yl)ethenyl]-1,3-benzothiazole is Cn1cc(/C=C(\c2nc3ccccc3[nH]2)c2nc3ccccc3s2)cn1.
What is the InChIKey of 2-[(E)-1-(1H-benzimidazol-2-yl)-2-(1-methylpyrazol-4-yl)ethenyl]-1,3-benzothiazole?
The InChIKey is MLSVNUIBVBXAOE-GXDHUFHOSA-N. The full InChI is InChI=1S/C20H15N5S/c1-25-12-13(11-21-25)10-14(19-22-15-6-2-3-7-16(15)23-19)20-24-17-8-4-5-9-18(17)26-20/h2-12H,1H3,(H,22,23)/b14-10+.
What are the key properties of 2-[(E)-1-(1H-benzimidazol-2-yl)-2-(1-methylpyrazol-4-yl)ethenyl]-1,3-benzothiazole?
2-[(E)-1-(1H-benzimidazol-2-yl)-2-(1-methylpyrazol-4-yl)ethenyl]-1,3-benzothiazole has a molecular weight of 357.44 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-1-(1H-benzimidazol-2-yl)-2-(1-methylpyrazol-4-yl)ethenyl]-1,3-benzothiazole is sourced from PubChem (CID 18141902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).