2-ethylsulfonyl-N-[(E)-hex-4-enyl]-1,3-thiazole-5-carboxamide

C12H18N2O3S2 — CID 21391832

IUPAC2-ethylsulfonyl-N-[(E)-hex-4-enyl]-1,3-thiazole-5-carboxamide
SMILESC/C=C/CCCNC(=O)c1cnc(S(=O)(=O)CC)s1
InChIInChI=1S/C12H18N2O3S2/c1-3-5-6-7-8-13-11(15)10-9-14-12(18-10)19(16,17)4-2/h3,5,9H,4,6-8H2,1-2H3,(H,13,15)/b5-3+
InChIKeyOMFQGVIOMGIRSK-HWKANZROSA-N
MW302.42 g/mol
LogP2.02
Rot. Bonds7

About 2-ethylsulfonyl-N-[(E)-hex-4-enyl]-1,3-thiazole-5-carboxamide

2-ethylsulfonyl-N-[(E)-hex-4-enyl]-1,3-thiazole-5-carboxamide (PubChem CID 21391832) has the molecular formula C12H18N2O3S2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 2-ethylsulfonyl-N-[(E)-hex-4-enyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-ethylsulfonyl-N-[(E)-hex-4-enyl]-1,3-thiazole-5-carboxamide
PubChem CID21391832
Molecular FormulaC12H18N2O3S2
Molecular Weight302.42 g/mol
Exact Mass302.08
IUPAC Name2-ethylsulfonyl-N-[(E)-hex-4-enyl]-1,3-thiazole-5-carboxamide
SMILESC/C=C/CCCNC(=O)c1cnc(S(=O)(=O)CC)s1
InChIInChI=1S/C12H18N2O3S2/c1-3-5-6-7-8-13-11(15)10-9-14-12(18-10)19(16,17)4-2/h3,5,9H,4,6-8H2,1-2H3,(H,13,15)/b5-3+
InChIKeyOMFQGVIOMGIRSK-HWKANZROSA-N
XLogP2.02
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-tert-butyl-N-(2-sulfamoylethyl)-1,3-thiazole-5-carboxamide
CID 47925770
N-(2-ethylsulfonylethyl)-2-methyl-1,3-thiazole-5-carboxamide
CID 60231579
2-propyl-N-(2-sulfamoylpropyl)-1,3-thiazole-5-carboxamide
CID 75396908
N-[(2E)-3,7-Dimethylocta-2,6-dien-1-YL]-1,3-thiazole-5-carboxamide
CID 118769675
2-[(E)-3,4-difluoropent-3-enyl]sulfanyl-N-ethyl-1,3-thiazole-5-carboxamide
CID 142226390
N-(3-methanesulfonylprop-2-en-1-yl)-2-(3,3,3-trifluoropropyl)-1,3-thiazole-5-carboxamide
CID 139018691
N-(1,1-dioxothian-4-yl)-2-propyl-1,3-thiazole-5-carboxamide
CID 72117144
2-ethylsulfanyl-N-[(E)-hex-3-enyl]-1,3-thiazole-5-carboxamide
CID 21391835
2-ethylsulfinyl-N-[(E)-pent-3-enyl]-1,3-thiazole-5-carboxamide
CID 21391838
2-ethylsulfonyl-N-[(E)-hept-5-enyl]-1,3-thiazole-5-carboxamide
CID 21391839
2-ethylsulfinyl-N-(5-methylhexyl)-1,3-thiazole-5-carboxamide
CID 21391843
2-ethylsulfonyl-N-[(E)-hex-3-enyl]-1,3-thiazole-5-carboxamide
CID 21391844

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonyl-N-[(E)-hex-4-enyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-ethylsulfonyl-N-[(E)-hex-4-enyl]-1,3-thiazole-5-carboxamide (CID 21391832) is 2-ethylsulfonyl-N-[(E)-hex-4-enyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-ethylsulfonyl-N-[(E)-hex-4-enyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-ethylsulfonyl-N-[(E)-hex-4-enyl]-1,3-thiazole-5-carboxamide is C/C=C/CCCNC(=O)c1cnc(S(=O)(=O)CC)s1.
What is the InChIKey of 2-ethylsulfonyl-N-[(E)-hex-4-enyl]-1,3-thiazole-5-carboxamide?
The InChIKey is OMFQGVIOMGIRSK-HWKANZROSA-N. The full InChI is InChI=1S/C12H18N2O3S2/c1-3-5-6-7-8-13-11(15)10-9-14-12(18-10)19(16,17)4-2/h3,5,9H,4,6-8H2,1-2H3,(H,13,15)/b5-3+.
What are the key properties of 2-ethylsulfonyl-N-[(E)-hex-4-enyl]-1,3-thiazole-5-carboxamide?
2-ethylsulfonyl-N-[(E)-hex-4-enyl]-1,3-thiazole-5-carboxamide has a molecular weight of 302.42 g/mol, XLogP of 2.02, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonyl-N-[(E)-hex-4-enyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 21391832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).