4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzohydrazide

C15H13N3OS2 — CID 2435403

IUPAC4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzohydrazide
SMILESNNC(=O)c1ccc(CSc2nc3ccccc3s2)cc1
InChIInChI=1S/C15H13N3OS2/c16-18-14(19)11-7-5-10(6-8-11)9-20-15-17-12-3-1-2-4-13(12)21-15/h1-8H,9,16H2,(H,18,19)
InChIKeyYOTGUBMIVSMJKC-UHFFFAOYSA-N
MW315.42 g/mol
LogP3.19
Rot. Bonds4

About 4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzohydrazide

4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzohydrazide (PubChem CID 2435403) has the molecular formula C15H13N3OS2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzohydrazide.

Molecular Properties

Compound Name4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzohydrazide
PubChem CID2435403
Molecular FormulaC15H13N3OS2
Molecular Weight315.42 g/mol
Exact Mass315.05
IUPAC Name4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzohydrazide
SMILESNNC(=O)c1ccc(CSc2nc3ccccc3s2)cc1
InChIInChI=1S/C15H13N3OS2/c16-18-14(19)11-7-5-10(6-8-11)9-20-15-17-12-3-1-2-4-13(12)21-15/h1-8H,9,16H2,(H,18,19)
InChIKeyYOTGUBMIVSMJKC-UHFFFAOYSA-N
XLogP3.19
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(1,3-Benzothiazol-2-yl)-1-phenylethan-1-one
CID 2435387
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CID 5334879
2-(1,3-Benzothiazol-2-ylsulfanyl)acetohydrazide
CID 260532
2-(Benzothiazol-2-ylsulfanyl)-1-phenyl-ethanone
CID 264060
4-(1,3-Benzothiazol-2-ylsulfanylmethyl)benzamide
CID 17448916
4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-ethylbenzamide
CID 24236869
N'-(1,3-benzothiazol-2-yl)-2-fluorobenzohydrazide
CID 872872
F0725-0480
CID 2880652
N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
CID 2729277
N-(2-aminophenyl)-4-((benzo[d]thiazol-2-ylthio)methyl)benzamide
CID 10293869
Benzamide, N-2-benzothiazolyl-4-methyl-
CID 4661022
2-(4-(benzo[d]thiazol-2-yl)benzoyl)-N-(2-fluorophenyl)hydrazinecarbothioamide (2)
CID 119081267

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzohydrazide?
The IUPAC name of 4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzohydrazide (CID 2435403) is 4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzohydrazide.
What is the SMILES notation for 4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzohydrazide?
The canonical SMILES for 4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzohydrazide is NNC(=O)c1ccc(CSc2nc3ccccc3s2)cc1.
What is the InChIKey of 4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzohydrazide?
The InChIKey is YOTGUBMIVSMJKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS2/c16-18-14(19)11-7-5-10(6-8-11)9-20-15-17-12-3-1-2-4-13(12)21-15/h1-8H,9,16H2,(H,18,19).
What are the key properties of 4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzohydrazide?
4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzohydrazide has a molecular weight of 315.42 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzohydrazide is sourced from PubChem (CID 2435403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).