N-[4-[2-(2-methoxyethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide

C12H17N3O3S — CID 18568262

IUPACN-[4-[2-(2-methoxyethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
SMILESCOCCNC(=O)Cc1csc(NC(=O)C2CC2)n1
InChIInChI=1S/C12H17N3O3S/c1-18-5-4-13-10(16)6-9-7-19-12(14-9)15-11(17)8-2-3-8/h7-8H,2-6H2,1H3,(H,13,16)(H,14,15,17)
InChIKeyJSCYPHLXKSZIIV-UHFFFAOYSA-N
MW283.35 g/mol
LogP0.80
Rot. Bonds7

About N-[4-[2-(2-methoxyethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide

N-[4-[2-(2-methoxyethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide (PubChem CID 18568262) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is N-[4-[2-(2-methoxyethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[2-(2-methoxyethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
PubChem CID18568262
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC NameN-[4-[2-(2-methoxyethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
SMILESCOCCNC(=O)Cc1csc(NC(=O)C2CC2)n1
InChIInChI=1S/C12H17N3O3S/c1-18-5-4-13-10(16)6-9-7-19-12(14-9)15-11(17)8-2-3-8/h7-8H,2-6H2,1H3,(H,13,16)(H,14,15,17)
InChIKeyJSCYPHLXKSZIIV-UHFFFAOYSA-N
XLogP0.80
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2-methoxyethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[2-(2-methoxyethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide (CID 18568262) is N-[4-[2-(2-methoxyethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[2-(2-methoxyethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[2-(2-methoxyethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide is COCCNC(=O)Cc1csc(NC(=O)C2CC2)n1.
What is the InChIKey of N-[4-[2-(2-methoxyethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide?
The InChIKey is JSCYPHLXKSZIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-18-5-4-13-10(16)6-9-7-19-12(14-9)15-11(17)8-2-3-8/h7-8H,2-6H2,1H3,(H,13,16)(H,14,15,17).
What are the key properties of N-[4-[2-(2-methoxyethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide?
N-[4-[2-(2-methoxyethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide has a molecular weight of 283.35 g/mol, XLogP of 0.80, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2-methoxyethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 18568262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).