N-but-3-enyl-2-ethylsulfonyl-1,3-thiazole-5-carboxamide

C10H14N2O3S2 — CID 21391866

IUPACN-but-3-enyl-2-ethylsulfonyl-1,3-thiazole-5-carboxamide
SMILESC=CCCNC(=O)c1cnc(S(=O)(=O)CC)s1
InChIInChI=1S/C10H14N2O3S2/c1-3-5-6-11-9(13)8-7-12-10(16-8)17(14,15)4-2/h3,7H,1,4-6H2,2H3,(H,11,13)
InChIKeyMFNZOIPGMGMRQK-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.24
Rot. Bonds6

About N-but-3-enyl-2-ethylsulfonyl-1,3-thiazole-5-carboxamide

N-but-3-enyl-2-ethylsulfonyl-1,3-thiazole-5-carboxamide (PubChem CID 21391866) has the molecular formula C10H14N2O3S2 and a molecular weight of 274.37 g/mol. Its IUPAC name is N-but-3-enyl-2-ethylsulfonyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-but-3-enyl-2-ethylsulfonyl-1,3-thiazole-5-carboxamide
PubChem CID21391866
Molecular FormulaC10H14N2O3S2
Molecular Weight274.37 g/mol
Exact Mass274.04
IUPAC NameN-but-3-enyl-2-ethylsulfonyl-1,3-thiazole-5-carboxamide
SMILESC=CCCNC(=O)c1cnc(S(=O)(=O)CC)s1
InChIInChI=1S/C10H14N2O3S2/c1-3-5-6-11-9(13)8-7-12-10(16-8)17(14,15)4-2/h3,7H,1,4-6H2,2H3,(H,11,13)
InChIKeyMFNZOIPGMGMRQK-UHFFFAOYSA-N
XLogP1.24
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.24
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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Frequently Asked Questions

What is the IUPAC name of N-but-3-enyl-2-ethylsulfonyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-but-3-enyl-2-ethylsulfonyl-1,3-thiazole-5-carboxamide (CID 21391866) is N-but-3-enyl-2-ethylsulfonyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-but-3-enyl-2-ethylsulfonyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-but-3-enyl-2-ethylsulfonyl-1,3-thiazole-5-carboxamide is C=CCCNC(=O)c1cnc(S(=O)(=O)CC)s1.
What is the InChIKey of N-but-3-enyl-2-ethylsulfonyl-1,3-thiazole-5-carboxamide?
The InChIKey is MFNZOIPGMGMRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S2/c1-3-5-6-11-9(13)8-7-12-10(16-8)17(14,15)4-2/h3,7H,1,4-6H2,2H3,(H,11,13).
What are the key properties of N-but-3-enyl-2-ethylsulfonyl-1,3-thiazole-5-carboxamide?
N-but-3-enyl-2-ethylsulfonyl-1,3-thiazole-5-carboxamide has a molecular weight of 274.37 g/mol, XLogP of 1.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-enyl-2-ethylsulfonyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 21391866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).