4-imidazol-1-yl-N-(2-methyl-1,3-benzothiazol-5-yl)benzamide

C18H14N4OS — CID 110445417

IUPAC4-imidazol-1-yl-N-(2-methyl-1,3-benzothiazol-5-yl)benzamide
SMILESCc1nc2cc(NC(=O)c3ccc(-n4ccnc4)cc3)ccc2s1
InChIInChI=1S/C18H14N4OS/c1-12-20-16-10-14(4-7-17(16)24-12)21-18(23)13-2-5-15(6-3-13)22-9-8-19-11-22/h2-11H,1H3,(H,21,23)
InChIKeyQBJPDQMPQKMIAJ-UHFFFAOYSA-N
MW334.40 g/mol
LogP4.04
Rot. Bonds3

About 4-imidazol-1-yl-N-(2-methyl-1,3-benzothiazol-5-yl)benzamide

4-imidazol-1-yl-N-(2-methyl-1,3-benzothiazol-5-yl)benzamide (PubChem CID 110445417) has the molecular formula C18H14N4OS and a molecular weight of 334.40 g/mol. Its IUPAC name is 4-imidazol-1-yl-N-(2-methyl-1,3-benzothiazol-5-yl)benzamide.

Molecular Properties

Compound Name4-imidazol-1-yl-N-(2-methyl-1,3-benzothiazol-5-yl)benzamide
PubChem CID110445417
Molecular FormulaC18H14N4OS
Molecular Weight334.40 g/mol
Exact Mass334.09
IUPAC Name4-imidazol-1-yl-N-(2-methyl-1,3-benzothiazol-5-yl)benzamide
SMILESCc1nc2cc(NC(=O)c3ccc(-n4ccnc4)cc3)ccc2s1
InChIInChI=1S/C18H14N4OS/c1-12-20-16-10-14(4-7-17(16)24-12)21-18(23)13-2-5-15(6-3-13)22-9-8-19-11-22/h2-11H,1H3,(H,21,23)
InChIKeyQBJPDQMPQKMIAJ-UHFFFAOYSA-N
XLogP4.04
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-imidazol-1-yl-N-(2-methyl-1,3-benzothiazol-5-yl)benzamide 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-imidazol-1-yl-N-(2-methyl-1,3-benzothiazol-5-yl)pyridazine-3-carboxamide
CID 71791752
N-(1,3-benzothiazol-2-yl)-4-imidazol-1-ylbenzamide
CID 31533716
3-fluoro-4-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)benzamide
CID 11301035
1-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)pyrazole-3-carboxamide
CID 42110934
N-[3-[[4-(4-imidazol-1-ylphenyl)pyrimidin-2-yl]amino]-4-methylphenyl]-4-methylbenzamide
CID 11518257
N-(2-methyl-1,3-benzothiazol-5-yl)-4-morpholin-4-ylsulfonylbenzamide
CID 4616787
1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(2-methyl-1,3-benzothiazol-5-yl)azetidine-3-carboxamide
CID 121018217
2-methyl-N-(4-propan-2-ylphenyl)-1,3-benzothiazole-5-carboxamide
CID 69268312
4-(dipropylsulfamoyl)-N-(2-methyl-1,3-benzothiazol-5-yl)benzamide
CID 3518335
N-(2,6-dimethylphenyl)-4-imidazol-1-ylbenzamide;hydrochloride
CID 23044294
N-(4-imidazol-1-ylphenyl)-5-methylthiophene-2-carboxamide
CID 37239302
4-imidazol-1-yl-N-(6-methoxy-3-pyridinyl)benzamide
CID 31532934

Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-N-(2-methyl-1,3-benzothiazol-5-yl)benzamide?
The IUPAC name of 4-imidazol-1-yl-N-(2-methyl-1,3-benzothiazol-5-yl)benzamide (CID 110445417) is 4-imidazol-1-yl-N-(2-methyl-1,3-benzothiazol-5-yl)benzamide.
What is the SMILES notation for 4-imidazol-1-yl-N-(2-methyl-1,3-benzothiazol-5-yl)benzamide?
The canonical SMILES for 4-imidazol-1-yl-N-(2-methyl-1,3-benzothiazol-5-yl)benzamide is Cc1nc2cc(NC(=O)c3ccc(-n4ccnc4)cc3)ccc2s1.
What is the InChIKey of 4-imidazol-1-yl-N-(2-methyl-1,3-benzothiazol-5-yl)benzamide?
The InChIKey is QBJPDQMPQKMIAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4OS/c1-12-20-16-10-14(4-7-17(16)24-12)21-18(23)13-2-5-15(6-3-13)22-9-8-19-11-22/h2-11H,1H3,(H,21,23).
What are the key properties of 4-imidazol-1-yl-N-(2-methyl-1,3-benzothiazol-5-yl)benzamide?
4-imidazol-1-yl-N-(2-methyl-1,3-benzothiazol-5-yl)benzamide has a molecular weight of 334.40 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-N-(2-methyl-1,3-benzothiazol-5-yl)benzamide is sourced from PubChem (CID 110445417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).