N-[(3R)-1,1-dioxothiolan-3-yl]-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfanyl]acetamide

C13H20N2O3S3 — CID 95321073

IUPACN-[(3R)-1,1-dioxothiolan-3-yl]-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfanyl]acetamide
SMILESCC(C)c1nc(CSCC(=O)N[C@@H]2CCS(=O)(=O)C2)cs1
InChIInChI=1S/C13H20N2O3S3/c1-9(2)13-15-11(6-20-13)5-19-7-12(16)14-10-3-4-21(17,18)8-10/h6,9-10H,3-5,7-8H2,1-2H3,(H,14,16)/t10-/m1/s1
InChIKeyMCIZNEUNHNGZNP-SNVBAGLBSA-N
MW348.52 g/mol
LogP1.80
Rot. Bonds6

About N-[(3R)-1,1-dioxothiolan-3-yl]-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfanyl]acetamide

N-[(3R)-1,1-dioxothiolan-3-yl]-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfanyl]acetamide (PubChem CID 95321073) has the molecular formula C13H20N2O3S3 and a molecular weight of 348.52 g/mol. Its IUPAC name is N-[(3R)-1,1-dioxothiolan-3-yl]-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-[(3R)-1,1-dioxothiolan-3-yl]-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfanyl]acetamide
PubChem CID95321073
Molecular FormulaC13H20N2O3S3
Molecular Weight348.52 g/mol
Exact Mass348.06
IUPAC NameN-[(3R)-1,1-dioxothiolan-3-yl]-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfanyl]acetamide
SMILESCC(C)c1nc(CSCC(=O)N[C@@H]2CCS(=O)(=O)C2)cs1
InChIInChI=1S/C13H20N2O3S3/c1-9(2)13-15-11(6-20-13)5-19-7-12(16)14-10-3-4-21(17,18)8-10/h6,9-10H,3-5,7-8H2,1-2H3,(H,14,16)/t10-/m1/s1
InChIKeyMCIZNEUNHNGZNP-SNVBAGLBSA-N
XLogP1.80
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.52
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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2-[(3-chlorophenyl)methylsulfanyl]-N-(1,1-dioxothiolan-3-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1,1-dioxothiolan-3-yl]-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfanyl]acetamide?
The IUPAC name of N-[(3R)-1,1-dioxothiolan-3-yl]-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfanyl]acetamide (CID 95321073) is N-[(3R)-1,1-dioxothiolan-3-yl]-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfanyl]acetamide.
What is the SMILES notation for N-[(3R)-1,1-dioxothiolan-3-yl]-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfanyl]acetamide?
The canonical SMILES for N-[(3R)-1,1-dioxothiolan-3-yl]-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfanyl]acetamide is CC(C)c1nc(CSCC(=O)N[C@@H]2CCS(=O)(=O)C2)cs1.
What is the InChIKey of N-[(3R)-1,1-dioxothiolan-3-yl]-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfanyl]acetamide?
The InChIKey is MCIZNEUNHNGZNP-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H20N2O3S3/c1-9(2)13-15-11(6-20-13)5-19-7-12(16)14-10-3-4-21(17,18)8-10/h6,9-10H,3-5,7-8H2,1-2H3,(H,14,16)/t10-/m1/s1.
What are the key properties of N-[(3R)-1,1-dioxothiolan-3-yl]-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfanyl]acetamide?
N-[(3R)-1,1-dioxothiolan-3-yl]-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfanyl]acetamide has a molecular weight of 348.52 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1,1-dioxothiolan-3-yl]-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfanyl]acetamide is sourced from PubChem (CID 95321073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).