3-(1,3-benzothiazol-2-ylsulfanyl)-N'-(3-chlorophenyl)propanehydrazide

C16H14ClN3OS2 — CID 39995846

IUPAC3-(1,3-benzothiazol-2-ylsulfanyl)-N'-(3-chlorophenyl)propanehydrazide
SMILESO=C(CCSc1nc2ccccc2s1)NNc1cccc(Cl)c1
InChIInChI=1S/C16H14ClN3OS2/c17-11-4-3-5-12(10-11)19-20-15(21)8-9-22-16-18-13-6-1-2-7-14(13)23-16/h1-7,10,19H,8-9H2,(H,20,21)
InChIKeyOJGRMRIUBPGMHI-UHFFFAOYSA-N
MW363.90 g/mol
LogP4.58
Rot. Bonds6

About 3-(1,3-benzothiazol-2-ylsulfanyl)-N'-(3-chlorophenyl)propanehydrazide

3-(1,3-benzothiazol-2-ylsulfanyl)-N'-(3-chlorophenyl)propanehydrazide (PubChem CID 39995846) has the molecular formula C16H14ClN3OS2 and a molecular weight of 363.90 g/mol. Its IUPAC name is 3-(1,3-benzothiazol-2-ylsulfanyl)-N'-(3-chlorophenyl)propanehydrazide.

Molecular Properties

Compound Name3-(1,3-benzothiazol-2-ylsulfanyl)-N'-(3-chlorophenyl)propanehydrazide
PubChem CID39995846
Molecular FormulaC16H14ClN3OS2
Molecular Weight363.90 g/mol
Exact Mass363.03
IUPAC Name3-(1,3-benzothiazol-2-ylsulfanyl)-N'-(3-chlorophenyl)propanehydrazide
SMILESO=C(CCSc1nc2ccccc2s1)NNc1cccc(Cl)c1
InChIInChI=1S/C16H14ClN3OS2/c17-11-4-3-5-12(10-11)19-20-15(21)8-9-22-16-18-13-6-1-2-7-14(13)23-16/h1-7,10,19H,8-9H2,(H,20,21)
InChIKeyOJGRMRIUBPGMHI-UHFFFAOYSA-N
XLogP4.58
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.90
LogP ≤ 54.58
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

3-(1,3-benzothiazol-2-ylsulfanyl)-N-methylpropanamide
CID 15005944
3-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-(4-chlorophenyl)ethyl]propanamide
CID 9081806
3-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-iodophenyl)propanamide
CID 124537483
3-(1,3-benzothiazol-2-ylsulfanyl)propanoyl 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate
CID 88662878
[4-[3-(1,3-benzothiazol-2-ylsulfanyl)propanoylamino]phenyl] thiocyanate
CID 23853901
5-[4-(1,3-benzothiazol-2-ylsulfanyl)butanoylamino]benzene-1,3-dicarboxamide
CID 2523524
2-(1,3-benzothiazol-2-ylmethoxy)-N'-(3,4-dichlorophenyl)acetohydrazide
CID 39966204
3-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-methoxyphenyl)propanamide
CID 851293
3-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-fluoro-2-methylphenyl)propanamide
CID 9077691
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2,6-dichlorophenyl)acetamide
CID 1371097
4-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-phenylphenyl)butanamide
CID 7969044
[2-(4-chloroanilino)-2-oxoethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)acetate
CID 7899031

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzothiazol-2-ylsulfanyl)-N'-(3-chlorophenyl)propanehydrazide?
The IUPAC name of 3-(1,3-benzothiazol-2-ylsulfanyl)-N'-(3-chlorophenyl)propanehydrazide (CID 39995846) is 3-(1,3-benzothiazol-2-ylsulfanyl)-N'-(3-chlorophenyl)propanehydrazide.
What is the SMILES notation for 3-(1,3-benzothiazol-2-ylsulfanyl)-N'-(3-chlorophenyl)propanehydrazide?
The canonical SMILES for 3-(1,3-benzothiazol-2-ylsulfanyl)-N'-(3-chlorophenyl)propanehydrazide is O=C(CCSc1nc2ccccc2s1)NNc1cccc(Cl)c1.
What is the InChIKey of 3-(1,3-benzothiazol-2-ylsulfanyl)-N'-(3-chlorophenyl)propanehydrazide?
The InChIKey is OJGRMRIUBPGMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3OS2/c17-11-4-3-5-12(10-11)19-20-15(21)8-9-22-16-18-13-6-1-2-7-14(13)23-16/h1-7,10,19H,8-9H2,(H,20,21).
What are the key properties of 3-(1,3-benzothiazol-2-ylsulfanyl)-N'-(3-chlorophenyl)propanehydrazide?
3-(1,3-benzothiazol-2-ylsulfanyl)-N'-(3-chlorophenyl)propanehydrazide has a molecular weight of 363.90 g/mol, XLogP of 4.58, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzothiazol-2-ylsulfanyl)-N'-(3-chlorophenyl)propanehydrazide is sourced from PubChem (CID 39995846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).