2-[(3S)-1,1-dioxothiolan-3-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide

C10H14N2O3S2 — CID 7222642

IUPAC2-[(3S)-1,1-dioxothiolan-3-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1csc(NC(=O)C[C@H]2CCS(=O)(=O)C2)n1
InChIInChI=1S/C10H14N2O3S2/c1-7-5-16-10(11-7)12-9(13)4-8-2-3-17(14,15)6-8/h5,8H,2-4,6H2,1H3,(H,11,12,13)/t8-/m1/s1
InChIKeyGRUBVTGETTWXGN-MRVPVSSYSA-N
MW274.37 g/mol
LogP1.21
Rot. Bonds3

About 2-[(3S)-1,1-dioxothiolan-3-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide

2-[(3S)-1,1-dioxothiolan-3-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 7222642) has the molecular formula C10H14N2O3S2 and a molecular weight of 274.37 g/mol. Its IUPAC name is 2-[(3S)-1,1-dioxothiolan-3-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(3S)-1,1-dioxothiolan-3-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID7222642
Molecular FormulaC10H14N2O3S2
Molecular Weight274.37 g/mol
Exact Mass274.04
IUPAC Name2-[(3S)-1,1-dioxothiolan-3-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1csc(NC(=O)C[C@H]2CCS(=O)(=O)C2)n1
InChIInChI=1S/C10H14N2O3S2/c1-7-5-16-10(11-7)12-9(13)4-8-2-3-17(14,15)6-8/h5,8H,2-4,6H2,1H3,(H,11,12,13)/t8-/m1/s1
InChIKeyGRUBVTGETTWXGN-MRVPVSSYSA-N
XLogP1.21
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1,1-dioxothiolan-3-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[(3S)-1,1-dioxothiolan-3-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide (CID 7222642) is 2-[(3S)-1,1-dioxothiolan-3-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(3S)-1,1-dioxothiolan-3-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[(3S)-1,1-dioxothiolan-3-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide is Cc1csc(NC(=O)C[C@H]2CCS(=O)(=O)C2)n1.
What is the InChIKey of 2-[(3S)-1,1-dioxothiolan-3-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is GRUBVTGETTWXGN-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H14N2O3S2/c1-7-5-16-10(11-7)12-9(13)4-8-2-3-17(14,15)6-8/h5,8H,2-4,6H2,1H3,(H,11,12,13)/t8-/m1/s1.
What are the key properties of 2-[(3S)-1,1-dioxothiolan-3-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
2-[(3S)-1,1-dioxothiolan-3-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 274.37 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1,1-dioxothiolan-3-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 7222642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).