N,N-diethyl-2-(2-hydroxyethoxymethyl)-1,3-thiazole-4-carboxamide

C11H18N2O3S — CID 46944152

IUPACN,N-diethyl-2-(2-hydroxyethoxymethyl)-1,3-thiazole-4-carboxamide
SMILESCCN(CC)C(=O)c1csc(COCCO)n1
InChIInChI=1S/C11H18N2O3S/c1-3-13(4-2)11(15)9-8-17-10(12-9)7-16-6-5-14/h8,14H,3-7H2,1-2H3
InChIKeySDXWWBLZXGUJHP-UHFFFAOYSA-N
MW258.34 g/mol
LogP1.13
Rot. Bonds7

About N,N-diethyl-2-(2-hydroxyethoxymethyl)-1,3-thiazole-4-carboxamide

N,N-diethyl-2-(2-hydroxyethoxymethyl)-1,3-thiazole-4-carboxamide (PubChem CID 46944152) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is N,N-diethyl-2-(2-hydroxyethoxymethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-2-(2-hydroxyethoxymethyl)-1,3-thiazole-4-carboxamide
PubChem CID46944152
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC NameN,N-diethyl-2-(2-hydroxyethoxymethyl)-1,3-thiazole-4-carboxamide
SMILESCCN(CC)C(=O)c1csc(COCCO)n1
InChIInChI=1S/C11H18N2O3S/c1-3-13(4-2)11(15)9-8-17-10(12-9)7-16-6-5-14/h8,14H,3-7H2,1-2H3
InChIKeySDXWWBLZXGUJHP-UHFFFAOYSA-N
XLogP1.13
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 51.13
H-Bond Donors ≤ 51
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,N-diethyl-2-(2-hydroxyethoxymethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N,N-diethyl-2-(2-hydroxyethoxymethyl)-1,3-thiazole-4-carboxamide (CID 46944152) is N,N-diethyl-2-(2-hydroxyethoxymethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N,N-diethyl-2-(2-hydroxyethoxymethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N,N-diethyl-2-(2-hydroxyethoxymethyl)-1,3-thiazole-4-carboxamide is CCN(CC)C(=O)c1csc(COCCO)n1.
What is the InChIKey of N,N-diethyl-2-(2-hydroxyethoxymethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is SDXWWBLZXGUJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-3-13(4-2)11(15)9-8-17-10(12-9)7-16-6-5-14/h8,14H,3-7H2,1-2H3.
What are the key properties of N,N-diethyl-2-(2-hydroxyethoxymethyl)-1,3-thiazole-4-carboxamide?
N,N-diethyl-2-(2-hydroxyethoxymethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 258.34 g/mol, XLogP of 1.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(2-hydroxyethoxymethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46944152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).