potassium 4-[(Z)-N-(6-chloro-1,3-benzothiazol-2-yl)-C-methylcarbonimidoyl]phenolate

C15H10ClKN2OS — CID 23696677

IUPACpotassium 4-[(Z)-N-(6-chloro-1,3-benzothiazol-2-yl)-C-methylcarbonimidoyl]phenolate
SMILESC/C(=N/c1nc2ccc(Cl)cc2s1)c1ccc([O-])cc1.[K+]
InChIInChI=1S/C15H11ClN2OS.K/c1-9(10-2-5-12(19)6-3-10)17-15-18-13-7-4-11(16)8-14(13)20-15;/h2-8,19H,1H3;/q;+1/p-1/b17-9-;
InChIKeyOJMBOYGKHZYVCS-WPTDRQDKSA-M
MW340.88 g/mol
LogP1.17
Rot. Bonds2

About potassium 4-[(Z)-N-(6-chloro-1,3-benzothiazol-2-yl)-C-methylcarbonimidoyl]phenolate

potassium 4-[(Z)-N-(6-chloro-1,3-benzothiazol-2-yl)-C-methylcarbonimidoyl]phenolate (PubChem CID 23696677) has the molecular formula C15H10ClKN2OS and a molecular weight of 340.88 g/mol. Its IUPAC name is potassium 4-[(Z)-N-(6-chloro-1,3-benzothiazol-2-yl)-C-methylcarbonimidoyl]phenolate.

Molecular Properties

Compound Namepotassium 4-[(Z)-N-(6-chloro-1,3-benzothiazol-2-yl)-C-methylcarbonimidoyl]phenolate
PubChem CID23696677
Molecular FormulaC15H10ClKN2OS
Molecular Weight340.88 g/mol
Exact Mass339.98
IUPAC Namepotassium 4-[(Z)-N-(6-chloro-1,3-benzothiazol-2-yl)-C-methylcarbonimidoyl]phenolate
SMILESC/C(=N/c1nc2ccc(Cl)cc2s1)c1ccc([O-])cc1.[K+]
InChIInChI=1S/C15H11ClN2OS.K/c1-9(10-2-5-12(19)6-3-10)17-15-18-13-7-4-11(16)8-14(13)20-15;/h2-8,19H,1H3;/q;+1/p-1/b17-9-;
InChIKeyOJMBOYGKHZYVCS-WPTDRQDKSA-M
XLogP1.17
TPSA48.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.88
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,2,2-trichloro-N'-(6-chloro-1,3-benzothiazol-2-yl)ethanimidamide
CID 174165572
4-[(6-chloro-1,3-benzothiazol-2-yl)diazenyl]-N,N-dimethylaniline
CID 577406
2-bromo-6-chloro-1,3-benzothiazole
CID 11499762
N'-[(E)-N'-(1,3-benzothiazol-2-yl)carbamimidoyl]-3-chlorobenzenecarboximidamide
CID 155144515
6-chloro-2-iodo-1,3-benzothiazole
CID 18967167
6-chloro-N-methyl-1,3-benzothiazol-2-amine
CID 10774358
6-chloro-2-propan-2-yl-1,3-benzothiazole
CID 18340659
3-(6-chloro-1,3-benzothiazol-2-yl)-N,N-dimethylbenzamide
CID 39826228
4-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)benzamide
CID 739315
(E)-N-[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]-1-(4-chlorophenyl)ethanimine
CID 11475563
2-(6-amino-1,3-benzothiazol-2-yl)guanidine
CID 130005649
6-chloro-2-pyrrolidin-1-yl-1,3-benzothiazole
CID 7110134

Frequently Asked Questions

What is the IUPAC name of potassium 4-[(Z)-N-(6-chloro-1,3-benzothiazol-2-yl)-C-methylcarbonimidoyl]phenolate?
The IUPAC name of potassium 4-[(Z)-N-(6-chloro-1,3-benzothiazol-2-yl)-C-methylcarbonimidoyl]phenolate (CID 23696677) is potassium 4-[(Z)-N-(6-chloro-1,3-benzothiazol-2-yl)-C-methylcarbonimidoyl]phenolate.
What is the SMILES notation for potassium 4-[(Z)-N-(6-chloro-1,3-benzothiazol-2-yl)-C-methylcarbonimidoyl]phenolate?
The canonical SMILES for potassium 4-[(Z)-N-(6-chloro-1,3-benzothiazol-2-yl)-C-methylcarbonimidoyl]phenolate is C/C(=N/c1nc2ccc(Cl)cc2s1)c1ccc([O-])cc1.[K+].
What is the InChIKey of potassium 4-[(Z)-N-(6-chloro-1,3-benzothiazol-2-yl)-C-methylcarbonimidoyl]phenolate?
The InChIKey is OJMBOYGKHZYVCS-WPTDRQDKSA-M. The full InChI is InChI=1S/C15H11ClN2OS.K/c1-9(10-2-5-12(19)6-3-10)17-15-18-13-7-4-11(16)8-14(13)20-15;/h2-8,19H,1H3;/q;+1/p-1/b17-9-;.
What are the key properties of potassium 4-[(Z)-N-(6-chloro-1,3-benzothiazol-2-yl)-C-methylcarbonimidoyl]phenolate?
potassium 4-[(Z)-N-(6-chloro-1,3-benzothiazol-2-yl)-C-methylcarbonimidoyl]phenolate has a molecular weight of 340.88 g/mol, XLogP of 1.17, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 4-[(Z)-N-(6-chloro-1,3-benzothiazol-2-yl)-C-methylcarbonimidoyl]phenolate is sourced from PubChem (CID 23696677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).