(3E,5Z)-N-(1,3-thiazol-2-yl)octa-1,3,5,7-tetraene-4-sulfonamide

C11H12N2O2S2 — CID 129258409

IUPAC(3E,5Z)-N-(1,3-thiazol-2-yl)octa-1,3,5,7-tetraene-4-sulfonamide
SMILESC=C/C=C\C(=C/C=C)S(=O)(=O)Nc1nccs1
InChIInChI=1S/C11H12N2O2S2/c1-3-5-7-10(6-4-2)17(14,15)13-11-12-8-9-16-11/h3-9H,1-2H2,(H,12,13)/b7-5-,10-6+
InChIKeyHXOUSYWSYXKCMK-ZPRNNRRZSA-N
MW268.36 g/mol
LogP2.70
Rot. Bonds6

About (3E,5Z)-N-(1,3-thiazol-2-yl)octa-1,3,5,7-tetraene-4-sulfonamide

(3E,5Z)-N-(1,3-thiazol-2-yl)octa-1,3,5,7-tetraene-4-sulfonamide (PubChem CID 129258409) has the molecular formula C11H12N2O2S2 and a molecular weight of 268.36 g/mol. Its IUPAC name is (3E,5Z)-N-(1,3-thiazol-2-yl)octa-1,3,5,7-tetraene-4-sulfonamide.

Molecular Properties

Compound Name(3E,5Z)-N-(1,3-thiazol-2-yl)octa-1,3,5,7-tetraene-4-sulfonamide
PubChem CID129258409
Molecular FormulaC11H12N2O2S2
Molecular Weight268.36 g/mol
Exact Mass268.03
IUPAC Name(3E,5Z)-N-(1,3-thiazol-2-yl)octa-1,3,5,7-tetraene-4-sulfonamide
SMILESC=C/C=C\C(=C/C=C)S(=O)(=O)Nc1nccs1
InChIInChI=1S/C11H12N2O2S2/c1-3-5-7-10(6-4-2)17(14,15)13-11-12-8-9-16-11/h3-9H,1-2H2,(H,12,13)/b7-5-,10-6+
InChIKeyHXOUSYWSYXKCMK-ZPRNNRRZSA-N
XLogP2.70
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.70
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-(1,3-thiazol-2-yl)sulfamate
CID 59847899
2-hydroxy-N-(1,3-thiazol-2-yl)ethanesulfonamide
CID 79588617
2-methyl-N-(1,3-thiazol-2-yl)prop-2-ene-1-sulfonamide
CID 91956225
4-chloro-N-(1,3-thiazol-2-yl)butane-1-sulfonamide
CID 116814761
N-(ethylsulfamoyl)-1,3-thiazol-2-amine
CID 89126853
2-(1,3-thiazol-2-ylsulfamoyl)benzamide
CID 87483084
5-bromo-2-fluoro-3-(1,3-thiazol-2-ylsulfamoyl)benzoic acid
CID 43323216
3-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 25044262
N-[(2E)-3-fluoropenta-2,4-dienyl]-1,3-thiazol-2-amine
CID 135175993
4-(2-chloroethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 28719509
2-(ethylaminomethyl)-4-methyl-N-(1,3-thiazol-2-yl)thiophene-3-sulfonamide
CID 106031666
1-(methylamino)-N-(1,3-thiazol-2-yl)propane-2-sulfonamide
CID 106031789

Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-N-(1,3-thiazol-2-yl)octa-1,3,5,7-tetraene-4-sulfonamide?
The IUPAC name of (3E,5Z)-N-(1,3-thiazol-2-yl)octa-1,3,5,7-tetraene-4-sulfonamide (CID 129258409) is (3E,5Z)-N-(1,3-thiazol-2-yl)octa-1,3,5,7-tetraene-4-sulfonamide.
What is the SMILES notation for (3E,5Z)-N-(1,3-thiazol-2-yl)octa-1,3,5,7-tetraene-4-sulfonamide?
The canonical SMILES for (3E,5Z)-N-(1,3-thiazol-2-yl)octa-1,3,5,7-tetraene-4-sulfonamide is C=C/C=C\C(=C/C=C)S(=O)(=O)Nc1nccs1.
What is the InChIKey of (3E,5Z)-N-(1,3-thiazol-2-yl)octa-1,3,5,7-tetraene-4-sulfonamide?
The InChIKey is HXOUSYWSYXKCMK-ZPRNNRRZSA-N. The full InChI is InChI=1S/C11H12N2O2S2/c1-3-5-7-10(6-4-2)17(14,15)13-11-12-8-9-16-11/h3-9H,1-2H2,(H,12,13)/b7-5-,10-6+.
What are the key properties of (3E,5Z)-N-(1,3-thiazol-2-yl)octa-1,3,5,7-tetraene-4-sulfonamide?
(3E,5Z)-N-(1,3-thiazol-2-yl)octa-1,3,5,7-tetraene-4-sulfonamide has a molecular weight of 268.36 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-N-(1,3-thiazol-2-yl)octa-1,3,5,7-tetraene-4-sulfonamide is sourced from PubChem (CID 129258409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).