N'-(5-benzyl-4,5-dihydro-1,3-thiazol-2-yl)benzenesulfonohydrazide

C16H17N3O2S2 — CID 3354995

IUPACN'-(5-benzyl-4,5-dihydro-1,3-thiazol-2-yl)benzenesulfonohydrazide
SMILESO=S(=O)(NNC1=NCC(Cc2ccccc2)S1)c1ccccc1
InChIInChI=1S/C16H17N3O2S2/c20-23(21,15-9-5-2-6-10-15)19-18-16-17-12-14(22-16)11-13-7-3-1-4-8-13/h1-10,14,19H,11-12H2,(H,17,18)
InChIKeyUTCSGMFFUKLVKI-UHFFFAOYSA-N
MW347.47 g/mol
LogP2.18
Rot. Bonds5

About N'-(5-benzyl-4,5-dihydro-1,3-thiazol-2-yl)benzenesulfonohydrazide

N'-(5-benzyl-4,5-dihydro-1,3-thiazol-2-yl)benzenesulfonohydrazide (PubChem CID 3354995) has the molecular formula C16H17N3O2S2 and a molecular weight of 347.47 g/mol. Its IUPAC name is N'-(5-benzyl-4,5-dihydro-1,3-thiazol-2-yl)benzenesulfonohydrazide.

Molecular Properties

Compound NameN'-(5-benzyl-4,5-dihydro-1,3-thiazol-2-yl)benzenesulfonohydrazide
PubChem CID3354995
Molecular FormulaC16H17N3O2S2
Molecular Weight347.47 g/mol
Exact Mass347.08
IUPAC NameN'-(5-benzyl-4,5-dihydro-1,3-thiazol-2-yl)benzenesulfonohydrazide
SMILESO=S(=O)(NNC1=NCC(Cc2ccccc2)S1)c1ccccc1
InChIInChI=1S/C16H17N3O2S2/c20-23(21,15-9-5-2-6-10-15)19-18-16-17-12-14(22-16)11-13-7-3-1-4-8-13/h1-10,14,19H,11-12H2,(H,17,18)
InChIKeyUTCSGMFFUKLVKI-UHFFFAOYSA-N
XLogP2.18
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.47
LogP ≤ 52.18
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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Frequently Asked Questions

What is the IUPAC name of N'-(5-benzyl-4,5-dihydro-1,3-thiazol-2-yl)benzenesulfonohydrazide?
The IUPAC name of N'-(5-benzyl-4,5-dihydro-1,3-thiazol-2-yl)benzenesulfonohydrazide (CID 3354995) is N'-(5-benzyl-4,5-dihydro-1,3-thiazol-2-yl)benzenesulfonohydrazide.
What is the SMILES notation for N'-(5-benzyl-4,5-dihydro-1,3-thiazol-2-yl)benzenesulfonohydrazide?
The canonical SMILES for N'-(5-benzyl-4,5-dihydro-1,3-thiazol-2-yl)benzenesulfonohydrazide is O=S(=O)(NNC1=NCC(Cc2ccccc2)S1)c1ccccc1.
What is the InChIKey of N'-(5-benzyl-4,5-dihydro-1,3-thiazol-2-yl)benzenesulfonohydrazide?
The InChIKey is UTCSGMFFUKLVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S2/c20-23(21,15-9-5-2-6-10-15)19-18-16-17-12-14(22-16)11-13-7-3-1-4-8-13/h1-10,14,19H,11-12H2,(H,17,18).
What are the key properties of N'-(5-benzyl-4,5-dihydro-1,3-thiazol-2-yl)benzenesulfonohydrazide?
N'-(5-benzyl-4,5-dihydro-1,3-thiazol-2-yl)benzenesulfonohydrazide has a molecular weight of 347.47 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-benzyl-4,5-dihydro-1,3-thiazol-2-yl)benzenesulfonohydrazide is sourced from PubChem (CID 3354995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).