(2Z)-N-(4-hydroxyanilino)-1,3-benzothiazole-2-carboximidoyl cyanide

C15H10N4OS — CID 136676135

IUPAC(2Z)-N-(4-hydroxyanilino)-1,3-benzothiazole-2-carboximidoyl cyanide
SMILESN#C/C(=N/Nc1ccc(O)cc1)c1nc2ccccc2s1
InChIInChI=1S/C15H10N4OS/c16-9-13(19-18-10-5-7-11(20)8-6-10)15-17-12-3-1-2-4-14(12)21-15/h1-8,18,20H/b19-13-
InChIKeyBWOWBHQQAGTALZ-UYRXBGFRSA-N
MW294.34 g/mol
LogP3.34
Rot. Bonds3

About (2Z)-N-(4-hydroxyanilino)-1,3-benzothiazole-2-carboximidoyl cyanide

(2Z)-N-(4-hydroxyanilino)-1,3-benzothiazole-2-carboximidoyl cyanide (PubChem CID 136676135) has the molecular formula C15H10N4OS and a molecular weight of 294.34 g/mol. Its IUPAC name is (2Z)-N-(4-hydroxyanilino)-1,3-benzothiazole-2-carboximidoyl cyanide.

Molecular Properties

Compound Name(2Z)-N-(4-hydroxyanilino)-1,3-benzothiazole-2-carboximidoyl cyanide
PubChem CID136676135
Molecular FormulaC15H10N4OS
Molecular Weight294.34 g/mol
Exact Mass294.06
IUPAC Name(2Z)-N-(4-hydroxyanilino)-1,3-benzothiazole-2-carboximidoyl cyanide
SMILESN#C/C(=N/Nc1ccc(O)cc1)c1nc2ccccc2s1
InChIInChI=1S/C15H10N4OS/c16-9-13(19-18-10-5-7-11(20)8-6-10)15-17-12-3-1-2-4-14(12)21-15/h1-8,18,20H/b19-13-
InChIKeyBWOWBHQQAGTALZ-UYRXBGFRSA-N
XLogP3.34
TPSA81.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2Z)-N-(4-cyanoanilino)-1,3-benzothiazole-2-carboximidoyl cyanide
CID 8007555
4-[2-[1,3-benzothiazol-2-yl(cyano)methylidene]hydrazinyl]benzenesulfonic acid
CID 2753523
N-(3-chloroanilino)-1,3-benzothiazole-2-carboximidoyl cyanide
CID 5063724
N-(1,3-benzodioxol-5-ylamino)-1,3-benzothiazole-2-carboximidoyl cyanide
CID 4047484
(2E)-N-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1,3-benzothiazole-2-carboximidoyl cyanide
CID 6262224
(2E)-N-[3-(trifluoromethyl)anilino]-1,3-benzothiazole-2-carboximidoyl cyanide
CID 6296099
2-(1,3-benzothiazol-2-yl)-2-hydroxyiminoacetonitrile
CID 686137
(2E)-N-(2-methoxyanilino)-1,3-benzothiazole-2-carboximidoyl cyanide
CID 6109208
2-(1,3-benzothiazol-2-yl)-2-hydroxyiminoacetonitrile;silver
CID 3496082
N-[3-(diethylsulfamoyl)anilino]-1,3-benzothiazole-2-carboximidoyl cyanide
CID 4190748
(2Z)-N-(4-hydroxyanilino)-1H-benzimidazole-2-carboximidoyl cyanide
CID 136822653
2-[[4-(1,3-benzothiazol-2-ylsulfanyl)phenyl]hydrazinylidene]propanedinitrile
CID 169339731

Frequently Asked Questions

What is the IUPAC name of (2Z)-N-(4-hydroxyanilino)-1,3-benzothiazole-2-carboximidoyl cyanide?
The IUPAC name of (2Z)-N-(4-hydroxyanilino)-1,3-benzothiazole-2-carboximidoyl cyanide (CID 136676135) is (2Z)-N-(4-hydroxyanilino)-1,3-benzothiazole-2-carboximidoyl cyanide.
What is the SMILES notation for (2Z)-N-(4-hydroxyanilino)-1,3-benzothiazole-2-carboximidoyl cyanide?
The canonical SMILES for (2Z)-N-(4-hydroxyanilino)-1,3-benzothiazole-2-carboximidoyl cyanide is N#C/C(=N/Nc1ccc(O)cc1)c1nc2ccccc2s1.
What is the InChIKey of (2Z)-N-(4-hydroxyanilino)-1,3-benzothiazole-2-carboximidoyl cyanide?
The InChIKey is BWOWBHQQAGTALZ-UYRXBGFRSA-N. The full InChI is InChI=1S/C15H10N4OS/c16-9-13(19-18-10-5-7-11(20)8-6-10)15-17-12-3-1-2-4-14(12)21-15/h1-8,18,20H/b19-13-.
What are the key properties of (2Z)-N-(4-hydroxyanilino)-1,3-benzothiazole-2-carboximidoyl cyanide?
(2Z)-N-(4-hydroxyanilino)-1,3-benzothiazole-2-carboximidoyl cyanide has a molecular weight of 294.34 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-(4-hydroxyanilino)-1,3-benzothiazole-2-carboximidoyl cyanide is sourced from PubChem (CID 136676135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).