2-ethylsulfinyl-N-[(E)-pent-3-enyl]-1,3-thiazole-5-carboxamide

C11H16N2O2S2 — CID 21391838

IUPAC2-ethylsulfinyl-N-[(E)-pent-3-enyl]-1,3-thiazole-5-carboxamide
SMILESC/C=C/CCNC(=O)c1cnc(S(=O)CC)s1
InChIInChI=1S/C11H16N2O2S2/c1-3-5-6-7-12-10(14)9-8-13-11(16-9)17(15)4-2/h3,5,8H,4,6-7H2,1-2H3,(H,12,14)/b5-3+
InChIKeyGVWSCPNXALNXBP-HWKANZROSA-N
MW272.39 g/mol
LogP1.97
Rot. Bonds6

About 2-ethylsulfinyl-N-[(E)-pent-3-enyl]-1,3-thiazole-5-carboxamide

2-ethylsulfinyl-N-[(E)-pent-3-enyl]-1,3-thiazole-5-carboxamide (PubChem CID 21391838) has the molecular formula C11H16N2O2S2 and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-ethylsulfinyl-N-[(E)-pent-3-enyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-ethylsulfinyl-N-[(E)-pent-3-enyl]-1,3-thiazole-5-carboxamide
PubChem CID21391838
Molecular FormulaC11H16N2O2S2
Molecular Weight272.39 g/mol
Exact Mass272.07
IUPAC Name2-ethylsulfinyl-N-[(E)-pent-3-enyl]-1,3-thiazole-5-carboxamide
SMILESC/C=C/CCNC(=O)c1cnc(S(=O)CC)s1
InChIInChI=1S/C11H16N2O2S2/c1-3-5-6-7-12-10(14)9-8-13-11(16-9)17(15)4-2/h3,5,8H,4,6-7H2,1-2H3,(H,12,14)/b5-3+
InChIKeyGVWSCPNXALNXBP-HWKANZROSA-N
XLogP1.97
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfinyl-N-[(E)-pent-3-enyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-ethylsulfinyl-N-[(E)-pent-3-enyl]-1,3-thiazole-5-carboxamide (CID 21391838) is 2-ethylsulfinyl-N-[(E)-pent-3-enyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-ethylsulfinyl-N-[(E)-pent-3-enyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-ethylsulfinyl-N-[(E)-pent-3-enyl]-1,3-thiazole-5-carboxamide is C/C=C/CCNC(=O)c1cnc(S(=O)CC)s1.
What is the InChIKey of 2-ethylsulfinyl-N-[(E)-pent-3-enyl]-1,3-thiazole-5-carboxamide?
The InChIKey is GVWSCPNXALNXBP-HWKANZROSA-N. The full InChI is InChI=1S/C11H16N2O2S2/c1-3-5-6-7-12-10(14)9-8-13-11(16-9)17(15)4-2/h3,5,8H,4,6-7H2,1-2H3,(H,12,14)/b5-3+.
What are the key properties of 2-ethylsulfinyl-N-[(E)-pent-3-enyl]-1,3-thiazole-5-carboxamide?
2-ethylsulfinyl-N-[(E)-pent-3-enyl]-1,3-thiazole-5-carboxamide has a molecular weight of 272.39 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfinyl-N-[(E)-pent-3-enyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 21391838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).