2-ethylsulfinyl-N-methyl-1,3-thiazole-5-carboxamide

C7H10N2O2S2 — CID 21391947

IUPAC2-ethylsulfinyl-N-methyl-1,3-thiazole-5-carboxamide
SMILESCCS(=O)c1ncc(C(=O)NC)s1
InChIInChI=1S/C7H10N2O2S2/c1-3-13(11)7-9-4-5(12-7)6(10)8-2/h4H,3H2,1-2H3,(H,8,10)
InChIKeyQHCJAPZGQMEYSE-UHFFFAOYSA-N
MW218.30 g/mol
LogP0.63
Rot. Bonds3

About 2-ethylsulfinyl-N-methyl-1,3-thiazole-5-carboxamide

2-ethylsulfinyl-N-methyl-1,3-thiazole-5-carboxamide (PubChem CID 21391947) has the molecular formula C7H10N2O2S2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-ethylsulfinyl-N-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-ethylsulfinyl-N-methyl-1,3-thiazole-5-carboxamide
PubChem CID21391947
Molecular FormulaC7H10N2O2S2
Molecular Weight218.30 g/mol
Exact Mass218.02
IUPAC Name2-ethylsulfinyl-N-methyl-1,3-thiazole-5-carboxamide
SMILESCCS(=O)c1ncc(C(=O)NC)s1
InChIInChI=1S/C7H10N2O2S2/c1-3-13(11)7-9-4-5(12-7)6(10)8-2/h4H,3H2,1-2H3,(H,8,10)
InChIKeyQHCJAPZGQMEYSE-UHFFFAOYSA-N
XLogP0.63
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfinyl-N-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-ethylsulfinyl-N-methyl-1,3-thiazole-5-carboxamide (CID 21391947) is 2-ethylsulfinyl-N-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-ethylsulfinyl-N-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-ethylsulfinyl-N-methyl-1,3-thiazole-5-carboxamide is CCS(=O)c1ncc(C(=O)NC)s1.
What is the InChIKey of 2-ethylsulfinyl-N-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is QHCJAPZGQMEYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S2/c1-3-13(11)7-9-4-5(12-7)6(10)8-2/h4H,3H2,1-2H3,(H,8,10).
What are the key properties of 2-ethylsulfinyl-N-methyl-1,3-thiazole-5-carboxamide?
2-ethylsulfinyl-N-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 218.30 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfinyl-N-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 21391947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).