N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-imidazol-1-ylacetamide

C18H14N4OS — CID 155805856

IUPACN-[4-(1,3-benzothiazol-2-yl)phenyl]-2-imidazol-1-ylacetamide
SMILESO=C(Cn1ccnc1)Nc1ccc(-c2nc3ccccc3s2)cc1
InChIInChI=1S/C18H14N4OS/c23-17(11-22-10-9-19-12-22)20-14-7-5-13(6-8-14)18-21-15-3-1-2-4-16(15)24-18/h1-10,12H,11H2,(H,20,23)
InChIKeyMWTCPZVSOLLRFG-UHFFFAOYSA-N
MW334.40 g/mol
LogP3.80
Rot. Bonds4

About N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-imidazol-1-ylacetamide

N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-imidazol-1-ylacetamide (PubChem CID 155805856) has the molecular formula C18H14N4OS and a molecular weight of 334.40 g/mol. Its IUPAC name is N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-imidazol-1-ylacetamide.

Molecular Properties

Compound NameN-[4-(1,3-benzothiazol-2-yl)phenyl]-2-imidazol-1-ylacetamide
PubChem CID155805856
Molecular FormulaC18H14N4OS
Molecular Weight334.40 g/mol
Exact Mass334.09
IUPAC NameN-[4-(1,3-benzothiazol-2-yl)phenyl]-2-imidazol-1-ylacetamide
SMILESO=C(Cn1ccnc1)Nc1ccc(-c2nc3ccccc3s2)cc1
InChIInChI=1S/C18H14N4OS/c23-17(11-22-10-9-19-12-22)20-14-7-5-13(6-8-14)18-21-15-3-1-2-4-16(15)24-18/h1-10,12H,11H2,(H,20,23)
InChIKeyMWTCPZVSOLLRFG-UHFFFAOYSA-N
XLogP3.80
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-imidazol-1-ylacetamide 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

Ikk-IN-3
CID 10215156
N,12-dimethyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 20823960
Dimethyl[2-({12-methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-yl}amino)ethyl]amine
CID 20823982
N-[2-({12-methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-yl}amino)ethyl]acetamide
CID 20823986
2-({12-Methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-yl}amino)acetamide
CID 20823995
N-ethyl-12-methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 20824060
N-{6-[2-(Methylsulfanyl)pyrimidin-4-Yl]-1,3-Benzothiazol-2-Yl}acetamide
CID 25183031
2-(benzotriazol-1-yl)-~{N}-[4-(1~{H}-imidazol-4-yl)phenyl]-~{N}-(thiophen-3-ylmethyl)ethanamide
CID 156026027
Metallo-|A-lactamase-IN-7
CID 162421325
N-(1,3-benzothiazol-2-yl)-2-(4-benzylpiperazin-1-yl)acetamide
CID 7709138
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide
CID 685797
[4-(2-Methyl-imidazo[1,2-a]pyrimidin-3-yl)-thiazol-2-yl]-p-tolyl-amine
CID 2898055

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-imidazol-1-ylacetamide?
The IUPAC name of N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-imidazol-1-ylacetamide (CID 155805856) is N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-imidazol-1-ylacetamide.
What is the SMILES notation for N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-imidazol-1-ylacetamide?
The canonical SMILES for N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-imidazol-1-ylacetamide is O=C(Cn1ccnc1)Nc1ccc(-c2nc3ccccc3s2)cc1.
What is the InChIKey of N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-imidazol-1-ylacetamide?
The InChIKey is MWTCPZVSOLLRFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4OS/c23-17(11-22-10-9-19-12-22)20-14-7-5-13(6-8-14)18-21-15-3-1-2-4-16(15)24-18/h1-10,12H,11H2,(H,20,23).
What are the key properties of N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-imidazol-1-ylacetamide?
N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-imidazol-1-ylacetamide has a molecular weight of 334.40 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-imidazol-1-ylacetamide is sourced from PubChem (CID 155805856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).