N-[3-(1H-benzimidazol-2-yl)phenyl]-4-methoxy-1,3-benzothiazol-2-amine

C21H16N4OS — CID 43968329

IUPACN-[3-(1H-benzimidazol-2-yl)phenyl]-4-methoxy-1,3-benzothiazol-2-amine
SMILESCOc1cccc2sc(Nc3cccc(-c4nc5ccccc5[nH]4)c3)nc12
InChIInChI=1S/C21H16N4OS/c1-26-17-10-5-11-18-19(17)25-21(27-18)22-14-7-4-6-13(12-14)20-23-15-8-2-3-9-16(15)24-20/h2-12H,1H3,(H,22,25)(H,23,24)
InChIKeyPOEVWVNHHXUYHS-UHFFFAOYSA-N
MW372.45 g/mol
LogP5.59
Rot. Bonds4

About N-[3-(1H-benzimidazol-2-yl)phenyl]-4-methoxy-1,3-benzothiazol-2-amine

N-[3-(1H-benzimidazol-2-yl)phenyl]-4-methoxy-1,3-benzothiazol-2-amine (PubChem CID 43968329) has the molecular formula C21H16N4OS and a molecular weight of 372.45 g/mol. Its IUPAC name is N-[3-(1H-benzimidazol-2-yl)phenyl]-4-methoxy-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-[3-(1H-benzimidazol-2-yl)phenyl]-4-methoxy-1,3-benzothiazol-2-amine
PubChem CID43968329
Molecular FormulaC21H16N4OS
Molecular Weight372.45 g/mol
Exact Mass372.10
IUPAC NameN-[3-(1H-benzimidazol-2-yl)phenyl]-4-methoxy-1,3-benzothiazol-2-amine
SMILESCOc1cccc2sc(Nc3cccc(-c4nc5ccccc5[nH]4)c3)nc12
InChIInChI=1S/C21H16N4OS/c1-26-17-10-5-11-18-19(17)25-21(27-18)22-14-7-4-6-13(12-14)20-23-15-8-2-3-9-16(15)24-20/h2-12H,1H3,(H,22,25)(H,23,24)
InChIKeyPOEVWVNHHXUYHS-UHFFFAOYSA-N
XLogP5.59
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.45
LogP ≤ 55.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-(1H-benzimidazol-2-yl)phenyl]-4-methoxy-1,3-benzothiazol-2-amine 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

N-[4-(1H-benzimidazol-2-yl)phenyl]-4-fluoro-1,3-benzothiazol-2-amine
CID 43968404
2-[3-[2-(3,4-dimethoxyphenyl)ethenyl]phenyl]-1H-benzimidazole
CID 154048615
N-[3-(1H-benzimidazol-2-yl)phenyl]-2,4,5-trimethoxybenzamide
CID 51109807
N-[3-(1H-benzimidazol-2-yl)phenyl]-3,4,5-trimethoxybenzamide
CID 1104078
N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]-4-methoxy-1,3-benzothiazol-2-amine
CID 73388169
4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine
CID 7105763
N-[3-(1H-benzimidazol-2-yl)phenyl]-4-methoxybenzamide
CID 2810335
5-[4-(1H-benzimidazol-2-yl)phenyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 171391802
2-(4-methoxy-3-propoxyphenyl)-1H-benzimidazole
CID 110539403
N-[3-(1H-benzimidazol-2-yl)phenyl]-2-methylpropanamide
CID 763445
dimethyl (E)-2-[3-(1H-benzimidazol-2-yl)anilino]but-2-enedioate
CID 168568180
(4-methoxy-1,3-benzothiazol-2-yl)urea
CID 22283036

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-benzimidazol-2-yl)phenyl]-4-methoxy-1,3-benzothiazol-2-amine?
The IUPAC name of N-[3-(1H-benzimidazol-2-yl)phenyl]-4-methoxy-1,3-benzothiazol-2-amine (CID 43968329) is N-[3-(1H-benzimidazol-2-yl)phenyl]-4-methoxy-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-[3-(1H-benzimidazol-2-yl)phenyl]-4-methoxy-1,3-benzothiazol-2-amine?
The canonical SMILES for N-[3-(1H-benzimidazol-2-yl)phenyl]-4-methoxy-1,3-benzothiazol-2-amine is COc1cccc2sc(Nc3cccc(-c4nc5ccccc5[nH]4)c3)nc12.
What is the InChIKey of N-[3-(1H-benzimidazol-2-yl)phenyl]-4-methoxy-1,3-benzothiazol-2-amine?
The InChIKey is POEVWVNHHXUYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4OS/c1-26-17-10-5-11-18-19(17)25-21(27-18)22-14-7-4-6-13(12-14)20-23-15-8-2-3-9-16(15)24-20/h2-12H,1H3,(H,22,25)(H,23,24).
What are the key properties of N-[3-(1H-benzimidazol-2-yl)phenyl]-4-methoxy-1,3-benzothiazol-2-amine?
N-[3-(1H-benzimidazol-2-yl)phenyl]-4-methoxy-1,3-benzothiazol-2-amine has a molecular weight of 372.45 g/mol, XLogP of 5.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-benzimidazol-2-yl)phenyl]-4-methoxy-1,3-benzothiazol-2-amine is sourced from PubChem (CID 43968329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).