6-[4-(3-methylphenyl)-1H-imidazol-5-yl]-1,3-benzothiazole

C17H13N3S — CID 122510529

IUPAC6-[4-(3-methylphenyl)-1H-imidazol-5-yl]-1,3-benzothiazole
SMILESCc1cccc(-c2nc[nH]c2-c2ccc3ncsc3c2)c1
InChIInChI=1S/C17H13N3S/c1-11-3-2-4-12(7-11)16-17(19-9-18-16)13-5-6-14-15(8-13)21-10-20-14/h2-10H,1H3,(H,18,19)
InChIKeyANNXUBINVQMBAZ-UHFFFAOYSA-N
MW291.38 g/mol
LogP4.66
Rot. Bonds2

About 6-[4-(3-methylphenyl)-1H-imidazol-5-yl]-1,3-benzothiazole

6-[4-(3-methylphenyl)-1H-imidazol-5-yl]-1,3-benzothiazole (PubChem CID 122510529) has the molecular formula C17H13N3S and a molecular weight of 291.38 g/mol. Its IUPAC name is 6-[4-(3-methylphenyl)-1H-imidazol-5-yl]-1,3-benzothiazole.

Molecular Properties

Compound Name6-[4-(3-methylphenyl)-1H-imidazol-5-yl]-1,3-benzothiazole
PubChem CID122510529
Molecular FormulaC17H13N3S
Molecular Weight291.38 g/mol
Exact Mass291.08
IUPAC Name6-[4-(3-methylphenyl)-1H-imidazol-5-yl]-1,3-benzothiazole
SMILESCc1cccc(-c2nc[nH]c2-c2ccc3ncsc3c2)c1
InChIInChI=1S/C17H13N3S/c1-11-3-2-4-12(7-11)16-17(19-9-18-16)13-5-6-14-15(8-13)21-10-20-14/h2-10H,1H3,(H,18,19)
InChIKeyANNXUBINVQMBAZ-UHFFFAOYSA-N
XLogP4.66
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-[4-(3-methylphenyl)-1H-imidazol-5-yl]-1,3-benzothiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[4-(3-chlorophenyl)-1H-imidazol-5-yl]-1,3-benzothiazole
CID 122510648
1,3-diethyl-5-[4-(3-methylphenyl)-1H-imidazol-5-yl]benzimidazol-2-one
CID 22063936
6-(3-chlorophenyl)-1,3-benzothiazole
CID 166918051
6-(1H-pyrrol-2-yl)-1,3-benzothiazole
CID 67416063
1-(4-fluorophenyl)-3-methyl-5-[4-(3-methylphenyl)-1H-imidazol-5-yl]benzimidazol-2-one
CID 23581439
1-ethyl-7-[4-(3-methylphenyl)-1H-imidazol-5-yl]-4-propan-2-yl-3H-quinoxalin-2-one
CID 142168527
6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1,3-benzothiazole
CID 90094679
6-methoxy-1,3-benzothiazole;toluene
CID 70544898
6-[2-(3-methylphenyl)-3-pyridinyl]-1H-benzimidazole
CID 90095154
6-(5-fluoropyrimidin-4-yl)-1,3-benzothiazole
CID 156779617
6-fluoranthen-3-yl-1,3-benzothiazole
CID 121287541
6-(4-methoxyphenyl)-1,3-benzothiazole
CID 91124365

Frequently Asked Questions

What is the IUPAC name of 6-[4-(3-methylphenyl)-1H-imidazol-5-yl]-1,3-benzothiazole?
The IUPAC name of 6-[4-(3-methylphenyl)-1H-imidazol-5-yl]-1,3-benzothiazole (CID 122510529) is 6-[4-(3-methylphenyl)-1H-imidazol-5-yl]-1,3-benzothiazole.
What is the SMILES notation for 6-[4-(3-methylphenyl)-1H-imidazol-5-yl]-1,3-benzothiazole?
The canonical SMILES for 6-[4-(3-methylphenyl)-1H-imidazol-5-yl]-1,3-benzothiazole is Cc1cccc(-c2nc[nH]c2-c2ccc3ncsc3c2)c1.
What is the InChIKey of 6-[4-(3-methylphenyl)-1H-imidazol-5-yl]-1,3-benzothiazole?
The InChIKey is ANNXUBINVQMBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3S/c1-11-3-2-4-12(7-11)16-17(19-9-18-16)13-5-6-14-15(8-13)21-10-20-14/h2-10H,1H3,(H,18,19).
What are the key properties of 6-[4-(3-methylphenyl)-1H-imidazol-5-yl]-1,3-benzothiazole?
6-[4-(3-methylphenyl)-1H-imidazol-5-yl]-1,3-benzothiazole has a molecular weight of 291.38 g/mol, XLogP of 4.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(3-methylphenyl)-1H-imidazol-5-yl]-1,3-benzothiazole is sourced from PubChem (CID 122510529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).