N'-anilino-N-(1,3-benzothiazol-2-ylimino)-2-hydroxybenzenecarboximidamide

C20H15N5OS — CID 177407947

IUPACN'-anilino-N-(1,3-benzothiazol-2-ylimino)-2-hydroxybenzenecarboximidamide
SMILESOc1ccccc1C(=N/Nc1ccccc1)/N=N/c1nc2ccccc2s1
InChIInChI=1S/C20H15N5OS/c26-17-12-6-4-10-15(17)19(23-22-14-8-2-1-3-9-14)24-25-20-21-16-11-5-7-13-18(16)27-20/h1-13,22,26H/b23-19-,25-24+
InChIKeyHVAXMWPLCYJCRA-WSESLVOBSA-N
MW373.44 g/mol
LogP5.56
Rot. Bonds4

About N'-anilino-N-(1,3-benzothiazol-2-ylimino)-2-hydroxybenzenecarboximidamide

N'-anilino-N-(1,3-benzothiazol-2-ylimino)-2-hydroxybenzenecarboximidamide (PubChem CID 177407947) has the molecular formula C20H15N5OS and a molecular weight of 373.44 g/mol. Its IUPAC name is N'-anilino-N-(1,3-benzothiazol-2-ylimino)-2-hydroxybenzenecarboximidamide.

Molecular Properties

Compound NameN'-anilino-N-(1,3-benzothiazol-2-ylimino)-2-hydroxybenzenecarboximidamide
PubChem CID177407947
Molecular FormulaC20H15N5OS
Molecular Weight373.44 g/mol
Exact Mass373.10
IUPAC NameN'-anilino-N-(1,3-benzothiazol-2-ylimino)-2-hydroxybenzenecarboximidamide
SMILESOc1ccccc1C(=N/Nc1ccccc1)/N=N/c1nc2ccccc2s1
InChIInChI=1S/C20H15N5OS/c26-17-12-6-4-10-15(17)19(23-22-14-8-2-1-3-9-14)24-25-20-21-16-11-5-7-13-18(16)27-20/h1-13,22,26H/b23-19-,25-24+
InChIKeyHVAXMWPLCYJCRA-WSESLVOBSA-N
XLogP5.56
TPSA82.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.44
LogP ≤ 55.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-(1,3-benzothiazol-2-ylimino)-N'-(4-fluoroanilino)benzenecarboximidamide
CID 138757139
N-(1,3-benzothiazol-2-ylimino)-N'-(2-chloroanilino)benzenecarboximidamide
CID 5024032
N-(1,3-benzothiazol-2-ylimino)-N'-(4-methoxyanilino)thiophene-2-carboximidamide
CID 170458742
N-(1,3-benzothiazol-2-ylimino)-N'-(4-chloroanilino)ethanimidamide
CID 3912410
(E)-N-(1,3-benzothiazol-2-ylimino)-N'-(4-methoxyanilino)but-2-enimidamide
CID 7098721
N-(1,3-benzothiazol-2-ylimino)-3-methoxy-N'-(4-nitroanilino)benzenecarboximidamide
CID 154521485
methyl 2-[(2E)-2-(1,3-benzothiazol-2-ylimino)hydrazinyl]benzoate
CID 5367108
[(E)-1,3-benzothiazol-2-yldiazenyl]thiourea
CID 19154564
N'-anilino-N-(4,6-dimethylpyrimidin-2-yl)iminobenzenecarboximidamide
CID 71393717
2-(1,3-benzothiazol-2-yldiazenyl)-4-[2-[3-(1,3-benzothiazol-2-yldiazenyl)-4-hydroxyphenyl]propan-2-yl]phenol
CID 136723394
4-(1,3-benzothiazol-2-yldiazenyl)-2-methylnaphthalene-1,3-diol
CID 135436607
(2Z)-N-(4-hydroxyanilino)-1,3-benzothiazole-2-carboximidoyl cyanide
CID 136676135

Frequently Asked Questions

What is the IUPAC name of N'-anilino-N-(1,3-benzothiazol-2-ylimino)-2-hydroxybenzenecarboximidamide?
The IUPAC name of N'-anilino-N-(1,3-benzothiazol-2-ylimino)-2-hydroxybenzenecarboximidamide (CID 177407947) is N'-anilino-N-(1,3-benzothiazol-2-ylimino)-2-hydroxybenzenecarboximidamide.
What is the SMILES notation for N'-anilino-N-(1,3-benzothiazol-2-ylimino)-2-hydroxybenzenecarboximidamide?
The canonical SMILES for N'-anilino-N-(1,3-benzothiazol-2-ylimino)-2-hydroxybenzenecarboximidamide is Oc1ccccc1C(=N/Nc1ccccc1)/N=N/c1nc2ccccc2s1.
What is the InChIKey of N'-anilino-N-(1,3-benzothiazol-2-ylimino)-2-hydroxybenzenecarboximidamide?
The InChIKey is HVAXMWPLCYJCRA-WSESLVOBSA-N. The full InChI is InChI=1S/C20H15N5OS/c26-17-12-6-4-10-15(17)19(23-22-14-8-2-1-3-9-14)24-25-20-21-16-11-5-7-13-18(16)27-20/h1-13,22,26H/b23-19-,25-24+.
What are the key properties of N'-anilino-N-(1,3-benzothiazol-2-ylimino)-2-hydroxybenzenecarboximidamide?
N'-anilino-N-(1,3-benzothiazol-2-ylimino)-2-hydroxybenzenecarboximidamide has a molecular weight of 373.44 g/mol, XLogP of 5.56, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-anilino-N-(1,3-benzothiazol-2-ylimino)-2-hydroxybenzenecarboximidamide is sourced from PubChem (CID 177407947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).