1-(4-chloro-1,3-benzothiazol-2-yl)-2-[(4-chlorophenyl)methyl]hydrazine

C14H11Cl2N3S — CID 51983709

IUPAC1-(4-chloro-1,3-benzothiazol-2-yl)-2-[(4-chlorophenyl)methyl]hydrazine
SMILESClc1ccc(CNNc2nc3c(Cl)cccc3s2)cc1
InChIInChI=1S/C14H11Cl2N3S/c15-10-6-4-9(5-7-10)8-17-19-14-18-13-11(16)2-1-3-12(13)20-14/h1-7,17H,8H2,(H,18,19)
InChIKeySOMXNKZCSPSNJC-UHFFFAOYSA-N
MW324.24 g/mol
LogP4.72
Rot. Bonds4

About 1-(4-chloro-1,3-benzothiazol-2-yl)-2-[(4-chlorophenyl)methyl]hydrazine

1-(4-chloro-1,3-benzothiazol-2-yl)-2-[(4-chlorophenyl)methyl]hydrazine (PubChem CID 51983709) has the molecular formula C14H11Cl2N3S and a molecular weight of 324.24 g/mol. Its IUPAC name is 1-(4-chloro-1,3-benzothiazol-2-yl)-2-[(4-chlorophenyl)methyl]hydrazine.

Molecular Properties

Compound Name1-(4-chloro-1,3-benzothiazol-2-yl)-2-[(4-chlorophenyl)methyl]hydrazine
PubChem CID51983709
Molecular FormulaC14H11Cl2N3S
Molecular Weight324.24 g/mol
Exact Mass323.01
IUPAC Name1-(4-chloro-1,3-benzothiazol-2-yl)-2-[(4-chlorophenyl)methyl]hydrazine
SMILESClc1ccc(CNNc2nc3c(Cl)cccc3s2)cc1
InChIInChI=1S/C14H11Cl2N3S/c15-10-6-4-9(5-7-10)8-17-19-14-18-13-11(16)2-1-3-12(13)20-14/h1-7,17H,8H2,(H,18,19)
InChIKeySOMXNKZCSPSNJC-UHFFFAOYSA-N
XLogP4.72
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.24
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-Benzothiazolamine, 4-chloro-
CID 29872
4-Chloro-2-hydrazinylbenzo[d]thiazole
CID 2049837
Benzaldehyde, 2,4-dichloro-, 2-benzothiazolylhydrazone
CID 5339871
Benzothiazol-2-yl-[2-(4-chloro-phenyl)-ethyl]-amine
CID 1439038
N-[(E)-(4-chlorophenyl)methylidene]-1,3-benzothiazol-2-amine
CID 9616495
N-benzyl-6-chloro-1,3-benzothiazol-2-amine
CID 4340133
Benzothiazol-2-yl-(2-chloro-benzylidene)-amine
CID 9579375
N'-(4-chloro-1,3-benzothiazol-2-yl)-2-fluorobenzohydrazide
CID 7105592
Stk638329
CID 9561312
N-[(2R)-1-(4-chlorophenyl)propan-2-yl]-1,3-benzothiazol-2-amine
CID 45272513
N'-(1,3-benzothiazol-2-yl)-N-[(4-chlorophenyl)methyl]propane-1,3-diamine
CID 70687484
N'-(1,3-benzothiazol-2-yl)-N-[(4-chlorophenyl)methyl]ethane-1,2-diamine
CID 70693740

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1,3-benzothiazol-2-yl)-2-[(4-chlorophenyl)methyl]hydrazine?
The IUPAC name of 1-(4-chloro-1,3-benzothiazol-2-yl)-2-[(4-chlorophenyl)methyl]hydrazine (CID 51983709) is 1-(4-chloro-1,3-benzothiazol-2-yl)-2-[(4-chlorophenyl)methyl]hydrazine.
What is the SMILES notation for 1-(4-chloro-1,3-benzothiazol-2-yl)-2-[(4-chlorophenyl)methyl]hydrazine?
The canonical SMILES for 1-(4-chloro-1,3-benzothiazol-2-yl)-2-[(4-chlorophenyl)methyl]hydrazine is Clc1ccc(CNNc2nc3c(Cl)cccc3s2)cc1.
What is the InChIKey of 1-(4-chloro-1,3-benzothiazol-2-yl)-2-[(4-chlorophenyl)methyl]hydrazine?
The InChIKey is SOMXNKZCSPSNJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N3S/c15-10-6-4-9(5-7-10)8-17-19-14-18-13-11(16)2-1-3-12(13)20-14/h1-7,17H,8H2,(H,18,19).
What are the key properties of 1-(4-chloro-1,3-benzothiazol-2-yl)-2-[(4-chlorophenyl)methyl]hydrazine?
1-(4-chloro-1,3-benzothiazol-2-yl)-2-[(4-chlorophenyl)methyl]hydrazine has a molecular weight of 324.24 g/mol, XLogP of 4.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1,3-benzothiazol-2-yl)-2-[(4-chlorophenyl)methyl]hydrazine is sourced from PubChem (CID 51983709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).