N'-(4-chloro-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzohydrazide

C15H12ClN3OS2 — CID 7599849

IUPACN'-(4-chloro-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzohydrazide
SMILESCSc1cccc(C(=O)NNc2nc3c(Cl)cccc3s2)c1
InChIInChI=1S/C15H12ClN3OS2/c1-21-10-5-2-4-9(8-10)14(20)18-19-15-17-13-11(16)6-3-7-12(13)22-15/h2-8H,1H3,(H,17,19)(H,18,20)
InChIKeyHQTUHJAXLVSXNX-UHFFFAOYSA-N
MW349.87 g/mol
LogP4.43
Rot. Bonds4

About N'-(4-chloro-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzohydrazide

N'-(4-chloro-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzohydrazide (PubChem CID 7599849) has the molecular formula C15H12ClN3OS2 and a molecular weight of 349.87 g/mol. Its IUPAC name is N'-(4-chloro-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzohydrazide.

Molecular Properties

Compound NameN'-(4-chloro-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzohydrazide
PubChem CID7599849
Molecular FormulaC15H12ClN3OS2
Molecular Weight349.87 g/mol
Exact Mass349.01
IUPAC NameN'-(4-chloro-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzohydrazide
SMILESCSc1cccc(C(=O)NNc2nc3c(Cl)cccc3s2)c1
InChIInChI=1S/C15H12ClN3OS2/c1-21-10-5-2-4-9(8-10)14(20)18-19-15-17-13-11(16)6-3-7-12(13)22-15/h2-8H,1H3,(H,17,19)(H,18,20)
InChIKeyHQTUHJAXLVSXNX-UHFFFAOYSA-N
XLogP4.43
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.87
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-ethyl-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzohydrazide
CID 7599930
N'-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzohydrazide
CID 7600332
N'-(6-fluoro-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzohydrazide
CID 7600544
N'-(4-chloro-1,3-benzothiazol-2-yl)-2,6-difluorobenzohydrazide
CID 7105594
N-(4-methyl-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzamide
CID 7266872
N'-(4-chloro-1,3-benzothiazol-2-yl)thiophene-2-carbohydrazide
CID 43953122
3-fluoro-N'-(4-methoxy-1,3-benzothiazol-2-yl)benzohydrazide
CID 7105535
N'-(4-chlorophenyl)-3-methylsulfanylbenzohydrazide
CID 54214681
N-(4-chloro-1,3-benzothiazol-2-yl)-2-(4-methylsulfanylphenyl)acetamide
CID 18586778
3-methoxy-N'-(4-methoxy-1,3-benzothiazol-2-yl)benzohydrazide
CID 7105536
N'-(4-methyl-1,3-benzothiazol-2-yl)-3-methylsulfonylbenzohydrazide
CID 7599897
N'-(4-bromo-1,3-benzothiazol-2-yl)-3-methylsulfonylbenzohydrazide
CID 43953368

Frequently Asked Questions

What is the IUPAC name of N'-(4-chloro-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzohydrazide?
The IUPAC name of N'-(4-chloro-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzohydrazide (CID 7599849) is N'-(4-chloro-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzohydrazide.
What is the SMILES notation for N'-(4-chloro-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzohydrazide?
The canonical SMILES for N'-(4-chloro-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzohydrazide is CSc1cccc(C(=O)NNc2nc3c(Cl)cccc3s2)c1.
What is the InChIKey of N'-(4-chloro-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzohydrazide?
The InChIKey is HQTUHJAXLVSXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3OS2/c1-21-10-5-2-4-9(8-10)14(20)18-19-15-17-13-11(16)6-3-7-12(13)22-15/h2-8H,1H3,(H,17,19)(H,18,20).
What are the key properties of N'-(4-chloro-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzohydrazide?
N'-(4-chloro-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzohydrazide has a molecular weight of 349.87 g/mol, XLogP of 4.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chloro-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzohydrazide is sourced from PubChem (CID 7599849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).