(6-chloro-1,3-benzothiazol-2-yl)methylidenehydrazine;bis(formonitrile)

C10H8ClN5S — CID 154945790

IUPAC(6-chloro-1,3-benzothiazol-2-yl)methylidenehydrazine;bis(formonitrile)
SMILESC#N.C#N.NN=Cc1nc2ccc(Cl)cc2s1
InChIInChI=1S/C8H6ClN3S.2CHN/c9-5-1-2-6-7(3-5)13-8(12-6)4-11-10;2*1-2/h1-4H,10H2;2*1H
InChIKeyKSMYMWAYXJAEKZ-UHFFFAOYSA-N
MW265.73 g/mol
LogP2.52
Rot. Bonds1

About (6-chloro-1,3-benzothiazol-2-yl)methylidenehydrazine;bis(formonitrile)

(6-chloro-1,3-benzothiazol-2-yl)methylidenehydrazine;bis(formonitrile) (PubChem CID 154945790) has the molecular formula C10H8ClN5S and a molecular weight of 265.73 g/mol. Its IUPAC name is (6-chloro-1,3-benzothiazol-2-yl)methylidenehydrazine;bis(formonitrile).

Molecular Properties

Compound Name(6-chloro-1,3-benzothiazol-2-yl)methylidenehydrazine;bis(formonitrile)
PubChem CID154945790
Molecular FormulaC10H8ClN5S
Molecular Weight265.73 g/mol
Exact Mass265.02
IUPAC Name(6-chloro-1,3-benzothiazol-2-yl)methylidenehydrazine;bis(formonitrile)
SMILESC#N.C#N.NN=Cc1nc2ccc(Cl)cc2s1
InChIInChI=1S/C8H6ClN3S.2CHN/c9-5-1-2-6-7(3-5)13-8(12-6)4-11-10;2*1-2/h1-4H,10H2;2*1H
InChIKeyKSMYMWAYXJAEKZ-UHFFFAOYSA-N
XLogP2.52
TPSA98.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.73
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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

6-chloro-2-iodo-1,3-benzothiazole
CID 18967167
2-bromo-6-chloro-1,3-benzothiazole
CID 11499762
(4-chloro-2-ethylphenyl)methylidenehydrazine
CID 168530938
6-chloro-N-methyl-1,3-benzothiazol-2-amine
CID 10774358
6-chloro-2-propan-2-yl-1,3-benzothiazole
CID 18340659
2,2,2-trichloro-N'-(6-chloro-1,3-benzothiazol-2-yl)ethanimidamide
CID 174165572
1-(6-chloro-1,3-benzothiazol-2-yl)cyclopentan-1-amine
CID 79527764
3-(6-chloro-1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
CID 79525122
6-chloro-N-(4-chlorophenyl)-1,3-benzothiazol-2-amine
CID 5044430
[4-chloro-2-(difluoromethoxy)phenyl]methylidenehydrazine
CID 168529149
6-chloro-N-(2-fluoro-5-methylphenyl)-1,3-benzothiazol-2-amine
CID 79528338
2-(5-bromo-1-methylpyridin-1-ium-3-yl)-6-chloro-1,3-benzothiazole
CID 100817920

Frequently Asked Questions

What is the IUPAC name of (6-chloro-1,3-benzothiazol-2-yl)methylidenehydrazine;bis(formonitrile)?
The IUPAC name of (6-chloro-1,3-benzothiazol-2-yl)methylidenehydrazine;bis(formonitrile) (CID 154945790) is (6-chloro-1,3-benzothiazol-2-yl)methylidenehydrazine;bis(formonitrile).
What is the SMILES notation for (6-chloro-1,3-benzothiazol-2-yl)methylidenehydrazine;bis(formonitrile)?
The canonical SMILES for (6-chloro-1,3-benzothiazol-2-yl)methylidenehydrazine;bis(formonitrile) is C#N.C#N.NN=Cc1nc2ccc(Cl)cc2s1.
What is the InChIKey of (6-chloro-1,3-benzothiazol-2-yl)methylidenehydrazine;bis(formonitrile)?
The InChIKey is KSMYMWAYXJAEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClN3S.2CHN/c9-5-1-2-6-7(3-5)13-8(12-6)4-11-10;2*1-2/h1-4H,10H2;2*1H.
What are the key properties of (6-chloro-1,3-benzothiazol-2-yl)methylidenehydrazine;bis(formonitrile)?
(6-chloro-1,3-benzothiazol-2-yl)methylidenehydrazine;bis(formonitrile) has a molecular weight of 265.73 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-1,3-benzothiazol-2-yl)methylidenehydrazine;bis(formonitrile) is sourced from PubChem (CID 154945790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).