N'-(6-methoxy-1,3-benzothiazol-2-yl)-N-(4-methylphenyl)benzenecarboximidamide

C22H19N3OS — CID 56730349

IUPACN'-(6-methoxy-1,3-benzothiazol-2-yl)-N-(4-methylphenyl)benzenecarboximidamide
SMILESCOc1ccc2nc(/N=C(/Nc3ccc(C)cc3)c3ccccc3)sc2c1
InChIInChI=1S/C22H19N3OS/c1-15-8-10-17(11-9-15)23-21(16-6-4-3-5-7-16)25-22-24-19-13-12-18(26-2)14-20(19)27-22/h3-14H,1-2H3,(H,23,24,25)
InChIKeyQTYLFTDNWGYQCL-UHFFFAOYSA-N
MW373.48 g/mol
LogP5.80
Rot. Bonds4

About N'-(6-methoxy-1,3-benzothiazol-2-yl)-N-(4-methylphenyl)benzenecarboximidamide

N'-(6-methoxy-1,3-benzothiazol-2-yl)-N-(4-methylphenyl)benzenecarboximidamide (PubChem CID 56730349) has the molecular formula C22H19N3OS and a molecular weight of 373.48 g/mol. Its IUPAC name is N'-(6-methoxy-1,3-benzothiazol-2-yl)-N-(4-methylphenyl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-(6-methoxy-1,3-benzothiazol-2-yl)-N-(4-methylphenyl)benzenecarboximidamide
PubChem CID56730349
Molecular FormulaC22H19N3OS
Molecular Weight373.48 g/mol
Exact Mass373.12
IUPAC NameN'-(6-methoxy-1,3-benzothiazol-2-yl)-N-(4-methylphenyl)benzenecarboximidamide
SMILESCOc1ccc2nc(/N=C(/Nc3ccc(C)cc3)c3ccccc3)sc2c1
InChIInChI=1S/C22H19N3OS/c1-15-8-10-17(11-9-15)23-21(16-6-4-3-5-7-16)25-22-24-19-13-12-18(26-2)14-20(19)27-22/h3-14H,1-2H3,(H,23,24,25)
InChIKeyQTYLFTDNWGYQCL-UHFFFAOYSA-N
XLogP5.80
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.48
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-(4-methoxyphenyl)-N'-(2-methylphenyl)benzenecarboximidamide;hydrochloride
CID 163339966
N-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]acetamide
CID 46845966
1-(4-methoxyphenyl)-3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]urea
CID 3635740
3-methoxy-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide
CID 1102694
4-methoxy-N'-(4-methoxyphenyl)-N-phenylbenzenecarboximidamide;hydrochloride
CID 72949778
2-(3-methoxyphenyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]quinoline-4-carboxamide
CID 4643852
N-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-4-methylbenzamide
CID 17479319
N'-[(E)-N'-(1,3-benzothiazol-2-yl)carbamimidoyl]-4-methoxybenzenecarboximidamide
CID 155144447
3-chloro-6-methoxy-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-benzothiophene-2-carboxamide
CID 4514238
1-[(6-methoxy-1,3-benzothiazol-2-yl)diazenyl]naphthalen-2-ol
CID 2311776
N-[2-(1,3-benzothiazol-2-yl)-4-methoxyphenyl]-4-methylbenzamide
CID 170058376
7-methoxy-N-(4-methylphenyl)-2-phenylquinoline-4-carboxamide
CID 164616063

Frequently Asked Questions

What is the IUPAC name of N'-(6-methoxy-1,3-benzothiazol-2-yl)-N-(4-methylphenyl)benzenecarboximidamide?
The IUPAC name of N'-(6-methoxy-1,3-benzothiazol-2-yl)-N-(4-methylphenyl)benzenecarboximidamide (CID 56730349) is N'-(6-methoxy-1,3-benzothiazol-2-yl)-N-(4-methylphenyl)benzenecarboximidamide.
What is the SMILES notation for N'-(6-methoxy-1,3-benzothiazol-2-yl)-N-(4-methylphenyl)benzenecarboximidamide?
The canonical SMILES for N'-(6-methoxy-1,3-benzothiazol-2-yl)-N-(4-methylphenyl)benzenecarboximidamide is COc1ccc2nc(/N=C(/Nc3ccc(C)cc3)c3ccccc3)sc2c1.
What is the InChIKey of N'-(6-methoxy-1,3-benzothiazol-2-yl)-N-(4-methylphenyl)benzenecarboximidamide?
The InChIKey is QTYLFTDNWGYQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3OS/c1-15-8-10-17(11-9-15)23-21(16-6-4-3-5-7-16)25-22-24-19-13-12-18(26-2)14-20(19)27-22/h3-14H,1-2H3,(H,23,24,25).
What are the key properties of N'-(6-methoxy-1,3-benzothiazol-2-yl)-N-(4-methylphenyl)benzenecarboximidamide?
N'-(6-methoxy-1,3-benzothiazol-2-yl)-N-(4-methylphenyl)benzenecarboximidamide has a molecular weight of 373.48 g/mol, XLogP of 5.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-methoxy-1,3-benzothiazol-2-yl)-N-(4-methylphenyl)benzenecarboximidamide is sourced from PubChem (CID 56730349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).