2-amino-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)-4-methyl-1,3-thiazole-5-carboxamide

C12H19N3O4S2 — CID 62793778

IUPAC2-amino-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCOCCN(C(=O)c1sc(N)nc1C)C1CCS(=O)(=O)C1
InChIInChI=1S/C12H19N3O4S2/c1-8-10(20-12(13)14-8)11(16)15(4-5-19-2)9-3-6-21(17,18)7-9/h9H,3-7H2,1-2H3,(H2,13,14)
InChIKeyNMLFWXDJLKNGLG-UHFFFAOYSA-N
MW333.44 g/mol
LogP0.31
Rot. Bonds5

About 2-amino-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)-4-methyl-1,3-thiazole-5-carboxamide

2-amino-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 62793778) has the molecular formula C12H19N3O4S2 and a molecular weight of 333.44 g/mol. Its IUPAC name is 2-amino-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID62793778
Molecular FormulaC12H19N3O4S2
Molecular Weight333.44 g/mol
Exact Mass333.08
IUPAC Name2-amino-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCOCCN(C(=O)c1sc(N)nc1C)C1CCS(=O)(=O)C1
InChIInChI=1S/C12H19N3O4S2/c1-8-10(20-12(13)14-8)11(16)15(4-5-19-2)9-3-6-21(17,18)7-9/h9H,3-7H2,1-2H3,(H2,13,14)
InChIKeyNMLFWXDJLKNGLG-UHFFFAOYSA-N
XLogP0.31
TPSA102.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-amino-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)-4-methyl-1,3-thiazole-5-carboxamide (CID 62793778) is 2-amino-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-amino-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-amino-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)-4-methyl-1,3-thiazole-5-carboxamide is COCCN(C(=O)c1sc(N)nc1C)C1CCS(=O)(=O)C1.
What is the InChIKey of 2-amino-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is NMLFWXDJLKNGLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4S2/c1-8-10(20-12(13)14-8)11(16)15(4-5-19-2)9-3-6-21(17,18)7-9/h9H,3-7H2,1-2H3,(H2,13,14).
What are the key properties of 2-amino-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)-4-methyl-1,3-thiazole-5-carboxamide?
2-amino-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 333.44 g/mol, XLogP of 0.31, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 62793778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).