N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]prop-2-ene-1-sulfonamide

C15H17FN2O2S2 — CID 7518265

IUPACN-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]prop-2-ene-1-sulfonamide
SMILESC=CCS(=O)(=O)NCCc1sc(-c2ccc(F)cc2)nc1C
InChIInChI=1S/C15H17FN2O2S2/c1-3-10-22(19,20)17-9-8-14-11(2)18-15(21-14)12-4-6-13(16)7-5-12/h3-7,17H,1,8-10H2,2H3
InChIKeyNJMKHODONSHUQE-UHFFFAOYSA-N
MW340.45 g/mol
LogP2.91
Rot. Bonds7

About N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]prop-2-ene-1-sulfonamide

N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]prop-2-ene-1-sulfonamide (PubChem CID 7518265) has the molecular formula C15H17FN2O2S2 and a molecular weight of 340.45 g/mol. Its IUPAC name is N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]prop-2-ene-1-sulfonamide.

Molecular Properties

Compound NameN-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]prop-2-ene-1-sulfonamide
PubChem CID7518265
Molecular FormulaC15H17FN2O2S2
Molecular Weight340.45 g/mol
Exact Mass340.07
IUPAC NameN-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]prop-2-ene-1-sulfonamide
SMILESC=CCS(=O)(=O)NCCc1sc(-c2ccc(F)cc2)nc1C
InChIInChI=1S/C15H17FN2O2S2/c1-3-10-22(19,20)17-9-8-14-11(2)18-15(21-14)12-4-6-13(16)7-5-12/h3-7,17H,1,8-10H2,2H3
InChIKeyNJMKHODONSHUQE-UHFFFAOYSA-N
XLogP2.91
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]propane-1-sulfonamide
CID 7503071
N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzenesulfonamide
CID 7503062
2-fluoro-N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzenesulfonamide
CID 7503085
3-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylpropan-1-amine
CID 116884759
N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]cyclopropanecarboxamide
CID 7518071
4-fluoro-N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzenesulfonamide
CID 7518293
N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 20965729
5-(2-chloroethyl)-2-(4-fluorophenyl)-4-methyl-1,3-thiazole
CID 82088854
2-fluoro-N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzamide
CID 7503026
N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methylbenzamide
CID 7503031
4-fluoro-3-methyl-N-[2-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]benzenesulfonamide
CID 7503113
N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methylpropane-1-sulfonamide
CID 7518305

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]prop-2-ene-1-sulfonamide?
The IUPAC name of N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]prop-2-ene-1-sulfonamide (CID 7518265) is N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]prop-2-ene-1-sulfonamide.
What is the SMILES notation for N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]prop-2-ene-1-sulfonamide?
The canonical SMILES for N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]prop-2-ene-1-sulfonamide is C=CCS(=O)(=O)NCCc1sc(-c2ccc(F)cc2)nc1C.
What is the InChIKey of N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]prop-2-ene-1-sulfonamide?
The InChIKey is NJMKHODONSHUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2S2/c1-3-10-22(19,20)17-9-8-14-11(2)18-15(21-14)12-4-6-13(16)7-5-12/h3-7,17H,1,8-10H2,2H3.
What are the key properties of N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]prop-2-ene-1-sulfonamide?
N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]prop-2-ene-1-sulfonamide has a molecular weight of 340.45 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]prop-2-ene-1-sulfonamide is sourced from PubChem (CID 7518265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).