2-(4-fluorophenyl)sulfanyl-N'-(6-methoxy-1,3-benzothiazol-2-yl)acetohydrazide

C16H14FN3O2S2 — CID 7600474

IUPAC2-(4-fluorophenyl)sulfanyl-N'-(6-methoxy-1,3-benzothiazol-2-yl)acetohydrazide
SMILESCOc1ccc2nc(NNC(=O)CSc3ccc(F)cc3)sc2c1
InChIInChI=1S/C16H14FN3O2S2/c1-22-11-4-7-13-14(8-11)24-16(18-13)20-19-15(21)9-23-12-5-2-10(17)3-6-12/h2-8H,9H2,1H3,(H,18,20)(H,19,21)
InChIKeyLJMXLNSWIYFTRE-UHFFFAOYSA-N
MW363.44 g/mol
LogP3.68
Rot. Bonds6

About 2-(4-fluorophenyl)sulfanyl-N'-(6-methoxy-1,3-benzothiazol-2-yl)acetohydrazide

2-(4-fluorophenyl)sulfanyl-N'-(6-methoxy-1,3-benzothiazol-2-yl)acetohydrazide (PubChem CID 7600474) has the molecular formula C16H14FN3O2S2 and a molecular weight of 363.44 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-N'-(6-methoxy-1,3-benzothiazol-2-yl)acetohydrazide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-N'-(6-methoxy-1,3-benzothiazol-2-yl)acetohydrazide
PubChem CID7600474
Molecular FormulaC16H14FN3O2S2
Molecular Weight363.44 g/mol
Exact Mass363.05
IUPAC Name2-(4-fluorophenyl)sulfanyl-N'-(6-methoxy-1,3-benzothiazol-2-yl)acetohydrazide
SMILESCOc1ccc2nc(NNC(=O)CSc3ccc(F)cc3)sc2c1
InChIInChI=1S/C16H14FN3O2S2/c1-22-11-4-7-13-14(8-11)24-16(18-13)20-19-15(21)9-23-12-5-2-10(17)3-6-12/h2-8H,9H2,1H3,(H,18,20)(H,19,21)
InChIKeyLJMXLNSWIYFTRE-UHFFFAOYSA-N
XLogP3.68
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chlorophenyl)sulfanyl-N'-(6-methoxy-1,3-benzothiazol-2-yl)acetohydrazide
CID 7600488
3-(4-fluorophenyl)sulfonyl-N'-(6-methoxy-1,3-benzothiazol-2-yl)propanehydrazide
CID 7600479
2-(4-methoxyphenyl)sulfanyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)acetamide
CID 41320931
2-(4-fluorophenoxy)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 16547554
N-[4-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanylphenyl]-2-phenylacetamide
CID 23095842
2,6-dimethoxy-N'-(6-methoxy-1,3-benzothiazol-2-yl)benzohydrazide
CID 7105623
N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfanylpropanamide
CID 7545140
N'-(6-fluoro-1,3-benzothiazol-2-yl)-3,5-dimethoxybenzohydrazide
CID 7105629
2,6-difluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 741712
N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 718596
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 655324
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 1238182

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-N'-(6-methoxy-1,3-benzothiazol-2-yl)acetohydrazide?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-N'-(6-methoxy-1,3-benzothiazol-2-yl)acetohydrazide (CID 7600474) is 2-(4-fluorophenyl)sulfanyl-N'-(6-methoxy-1,3-benzothiazol-2-yl)acetohydrazide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-N'-(6-methoxy-1,3-benzothiazol-2-yl)acetohydrazide?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-N'-(6-methoxy-1,3-benzothiazol-2-yl)acetohydrazide is COc1ccc2nc(NNC(=O)CSc3ccc(F)cc3)sc2c1.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-N'-(6-methoxy-1,3-benzothiazol-2-yl)acetohydrazide?
The InChIKey is LJMXLNSWIYFTRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O2S2/c1-22-11-4-7-13-14(8-11)24-16(18-13)20-19-15(21)9-23-12-5-2-10(17)3-6-12/h2-8H,9H2,1H3,(H,18,20)(H,19,21).
What are the key properties of 2-(4-fluorophenyl)sulfanyl-N'-(6-methoxy-1,3-benzothiazol-2-yl)acetohydrazide?
2-(4-fluorophenyl)sulfanyl-N'-(6-methoxy-1,3-benzothiazol-2-yl)acetohydrazide has a molecular weight of 363.44 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanyl-N'-(6-methoxy-1,3-benzothiazol-2-yl)acetohydrazide is sourced from PubChem (CID 7600474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).