2-[(E)-3,4-difluoropent-3-enyl]sulfanyl-N-ethyl-1,3-thiazole-5-carboxamide

C11H14F2N2OS2 — CID 142226390

IUPAC2-[(E)-3,4-difluoropent-3-enyl]sulfanyl-N-ethyl-1,3-thiazole-5-carboxamide
SMILESCCNC(=O)c1cnc(SCC/C(F)=C(/C)F)s1
InChIInChI=1S/C11H14F2N2OS2/c1-3-14-10(16)9-6-15-11(18-9)17-5-4-8(13)7(2)12/h6H,3-5H2,1-2H3,(H,14,16)/b8-7+
InChIKeyLXGAGFGNDQBAFV-BQYQJAHWSA-N
MW292.38 g/mol
LogP3.55
Rot. Bonds6

About 2-[(E)-3,4-difluoropent-3-enyl]sulfanyl-N-ethyl-1,3-thiazole-5-carboxamide

2-[(E)-3,4-difluoropent-3-enyl]sulfanyl-N-ethyl-1,3-thiazole-5-carboxamide (PubChem CID 142226390) has the molecular formula C11H14F2N2OS2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[(E)-3,4-difluoropent-3-enyl]sulfanyl-N-ethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[(E)-3,4-difluoropent-3-enyl]sulfanyl-N-ethyl-1,3-thiazole-5-carboxamide
PubChem CID142226390
Molecular FormulaC11H14F2N2OS2
Molecular Weight292.38 g/mol
Exact Mass292.05
IUPAC Name2-[(E)-3,4-difluoropent-3-enyl]sulfanyl-N-ethyl-1,3-thiazole-5-carboxamide
SMILESCCNC(=O)c1cnc(SCC/C(F)=C(/C)F)s1
InChIInChI=1S/C11H14F2N2OS2/c1-3-14-10(16)9-6-15-11(18-9)17-5-4-8(13)7(2)12/h6H,3-5H2,1-2H3,(H,14,16)/b8-7+
InChIKeyLXGAGFGNDQBAFV-BQYQJAHWSA-N
XLogP3.55
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-3,4-difluoropent-3-enyl]sulfanyl-N-ethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[(E)-3,4-difluoropent-3-enyl]sulfanyl-N-ethyl-1,3-thiazole-5-carboxamide (CID 142226390) is 2-[(E)-3,4-difluoropent-3-enyl]sulfanyl-N-ethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[(E)-3,4-difluoropent-3-enyl]sulfanyl-N-ethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[(E)-3,4-difluoropent-3-enyl]sulfanyl-N-ethyl-1,3-thiazole-5-carboxamide is CCNC(=O)c1cnc(SCC/C(F)=C(/C)F)s1.
What is the InChIKey of 2-[(E)-3,4-difluoropent-3-enyl]sulfanyl-N-ethyl-1,3-thiazole-5-carboxamide?
The InChIKey is LXGAGFGNDQBAFV-BQYQJAHWSA-N. The full InChI is InChI=1S/C11H14F2N2OS2/c1-3-14-10(16)9-6-15-11(18-9)17-5-4-8(13)7(2)12/h6H,3-5H2,1-2H3,(H,14,16)/b8-7+.
What are the key properties of 2-[(E)-3,4-difluoropent-3-enyl]sulfanyl-N-ethyl-1,3-thiazole-5-carboxamide?
2-[(E)-3,4-difluoropent-3-enyl]sulfanyl-N-ethyl-1,3-thiazole-5-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-3,4-difluoropent-3-enyl]sulfanyl-N-ethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 142226390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).