2-ethyl-N-methylsulfonyl-1,3-thiazole-5-carboxamide

C7H10N2O3S2 — CID 47425444

IUPAC2-ethyl-N-methylsulfonyl-1,3-thiazole-5-carboxamide
SMILESCCc1ncc(C(=O)NS(C)(=O)=O)s1
InChIInChI=1S/C7H10N2O3S2/c1-3-6-8-4-5(13-6)7(10)9-14(2,11)12/h4H,3H2,1-2H3,(H,9,10)
InChIKeyOOCVOVZTKMAONF-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.39
Rot. Bonds3

About 2-ethyl-N-methylsulfonyl-1,3-thiazole-5-carboxamide

2-ethyl-N-methylsulfonyl-1,3-thiazole-5-carboxamide (PubChem CID 47425444) has the molecular formula C7H10N2O3S2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-ethyl-N-methylsulfonyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-methylsulfonyl-1,3-thiazole-5-carboxamide
PubChem CID47425444
Molecular FormulaC7H10N2O3S2
Molecular Weight234.30 g/mol
Exact Mass234.01
IUPAC Name2-ethyl-N-methylsulfonyl-1,3-thiazole-5-carboxamide
SMILESCCc1ncc(C(=O)NS(C)(=O)=O)s1
InChIInChI=1S/C7H10N2O3S2/c1-3-6-8-4-5(13-6)7(10)9-14(2,11)12/h4H,3H2,1-2H3,(H,9,10)
InChIKeyOOCVOVZTKMAONF-UHFFFAOYSA-N
XLogP0.39
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-methylsulfonyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-ethyl-N-methylsulfonyl-1,3-thiazole-5-carboxamide (CID 47425444) is 2-ethyl-N-methylsulfonyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-ethyl-N-methylsulfonyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-ethyl-N-methylsulfonyl-1,3-thiazole-5-carboxamide is CCc1ncc(C(=O)NS(C)(=O)=O)s1.
What is the InChIKey of 2-ethyl-N-methylsulfonyl-1,3-thiazole-5-carboxamide?
The InChIKey is OOCVOVZTKMAONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3S2/c1-3-6-8-4-5(13-6)7(10)9-14(2,11)12/h4H,3H2,1-2H3,(H,9,10).
What are the key properties of 2-ethyl-N-methylsulfonyl-1,3-thiazole-5-carboxamide?
2-ethyl-N-methylsulfonyl-1,3-thiazole-5-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 0.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-methylsulfonyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 47425444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).