N-(1,3-thiazol-2-yl)penta-1,3-diene-3-sulfonamide

C8H10N2O2S2 — CID 91340327

IUPACN-(1,3-thiazol-2-yl)penta-1,3-diene-3-sulfonamide
SMILESC=CC(=CC)S(=O)(=O)Nc1nccs1
InChIInChI=1S/C8H10N2O2S2/c1-3-7(4-2)14(11,12)10-8-9-5-6-13-8/h3-6H,1H2,2H3,(H,9,10)
InChIKeyIEVNRNZHQNCHKX-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.97
Rot. Bonds4

About N-(1,3-thiazol-2-yl)penta-1,3-diene-3-sulfonamide

N-(1,3-thiazol-2-yl)penta-1,3-diene-3-sulfonamide (PubChem CID 91340327) has the molecular formula C8H10N2O2S2 and a molecular weight of 230.31 g/mol. Its IUPAC name is N-(1,3-thiazol-2-yl)penta-1,3-diene-3-sulfonamide.

Molecular Properties

Compound NameN-(1,3-thiazol-2-yl)penta-1,3-diene-3-sulfonamide
PubChem CID91340327
Molecular FormulaC8H10N2O2S2
Molecular Weight230.31 g/mol
Exact Mass230.02
IUPAC NameN-(1,3-thiazol-2-yl)penta-1,3-diene-3-sulfonamide
SMILESC=CC(=CC)S(=O)(=O)Nc1nccs1
InChIInChI=1S/C8H10N2O2S2/c1-3-7(4-2)14(11,12)10-8-9-5-6-13-8/h3-6H,1H2,2H3,(H,9,10)
InChIKeyIEVNRNZHQNCHKX-UHFFFAOYSA-N
XLogP1.97
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

n-butyl-N-2-thiazolylsulfonamide
CID 9117500
1-fluoro-N-(1,3-thiazol-2-yl)methanesulfonamide
CID 88366557
5-chloro-2-fluoro-N-(1,3-thiazol-2-yl)hexa-2,4-diene-3-sulfonamide
CID 123940985
3-[Methyl(1,3-thiazol-2-yl)sulfamoyl]propane-1-sulfonyl fluoride
CID 99792847
11-Dioxo-N-(13-thiazol-2-YL)-1lambda6-thiolane-3-sulfonamide
CID 16958018
N-(1,3-thiazol-2-yl)methanesulfonamide
CID 3532089
2-amino-N-(1,3-thiazol-2-yl)ethanesulfonamide
CID 16784506
N-2-thiazolylSulfamide
CID 17776181
Propane-1-sulfonic acid;1,3-thiazol-2-amine
CID 20261300
N-(propan-2-ylsulfamoyl)-1,3-thiazol-2-amine
CID 57981821
N-2-Thiazolylethanesulfonamide
CID 60650347
N-(Thiazol-2-yl)propane-1-sulfonamide
CID 60650348

Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-2-yl)penta-1,3-diene-3-sulfonamide?
The IUPAC name of N-(1,3-thiazol-2-yl)penta-1,3-diene-3-sulfonamide (CID 91340327) is N-(1,3-thiazol-2-yl)penta-1,3-diene-3-sulfonamide.
What is the SMILES notation for N-(1,3-thiazol-2-yl)penta-1,3-diene-3-sulfonamide?
The canonical SMILES for N-(1,3-thiazol-2-yl)penta-1,3-diene-3-sulfonamide is C=CC(=CC)S(=O)(=O)Nc1nccs1.
What is the InChIKey of N-(1,3-thiazol-2-yl)penta-1,3-diene-3-sulfonamide?
The InChIKey is IEVNRNZHQNCHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2S2/c1-3-7(4-2)14(11,12)10-8-9-5-6-13-8/h3-6H,1H2,2H3,(H,9,10).
What are the key properties of N-(1,3-thiazol-2-yl)penta-1,3-diene-3-sulfonamide?
N-(1,3-thiazol-2-yl)penta-1,3-diene-3-sulfonamide has a molecular weight of 230.31 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-2-yl)penta-1,3-diene-3-sulfonamide is sourced from PubChem (CID 91340327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).