2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]acetamide

C14H23N3O3S2 — CID 91838163

IUPAC2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]acetamide
SMILESCCc1nc(CCNC(=O)CN(C)C2CCS(=O)(=O)C2)cs1
InChIInChI=1S/C14H23N3O3S2/c1-3-14-16-11(9-21-14)4-6-15-13(18)8-17(2)12-5-7-22(19,20)10-12/h9,12H,3-8,10H2,1-2H3,(H,15,18)
InChIKeyWZOANYJJKZGZCU-UHFFFAOYSA-N
MW345.49 g/mol
LogP0.48
Rot. Bonds7

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

2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]acetamide (PubChem CID 91838163) has the molecular formula C14H23N3O3S2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]acetamide
PubChem CID91838163
Molecular FormulaC14H23N3O3S2
Molecular Weight345.49 g/mol
Exact Mass345.12
IUPAC Name2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]acetamide
SMILESCCc1nc(CCNC(=O)CN(C)C2CCS(=O)(=O)C2)cs1
InChIInChI=1S/C14H23N3O3S2/c1-3-14-16-11(9-21-14)4-6-15-13(18)8-17(2)12-5-7-22(19,20)10-12/h9,12H,3-8,10H2,1-2H3,(H,15,18)
InChIKeyWZOANYJJKZGZCU-UHFFFAOYSA-N
XLogP0.48
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]acetamide?
The IUPAC name of 2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]acetamide (CID 91838163) is 2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]acetamide.
What is the SMILES notation for 2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]acetamide?
The canonical SMILES for 2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]acetamide is CCc1nc(CCNC(=O)CN(C)C2CCS(=O)(=O)C2)cs1.
What is the InChIKey of 2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]acetamide?
The InChIKey is WZOANYJJKZGZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S2/c1-3-14-16-11(9-21-14)4-6-15-13(18)8-17(2)12-5-7-22(19,20)10-12/h9,12H,3-8,10H2,1-2H3,(H,15,18).
What are the key properties of 2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]acetamide?
2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]acetamide has a molecular weight of 345.49 g/mol, XLogP of 0.48, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]acetamide is sourced from PubChem (CID 91838163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).