N-ethyl-N-[4-[[2-hydroxyethyl(prop-2-enyl)amino]methyl]-1,3-thiazol-2-yl]acetamide

C13H21N3O2S — CID 115631792

IUPACN-ethyl-N-[4-[[2-hydroxyethyl(prop-2-enyl)amino]methyl]-1,3-thiazol-2-yl]acetamide
SMILESC=CCN(CCO)Cc1csc(N(CC)C(C)=O)n1
InChIInChI=1S/C13H21N3O2S/c1-4-6-15(7-8-17)9-12-10-19-13(14-12)16(5-2)11(3)18/h4,10,17H,1,5-9H2,2-3H3
InChIKeyNDPOLVSLAWDLLT-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.50
Rot. Bonds8

About N-ethyl-N-[4-[[2-hydroxyethyl(prop-2-enyl)amino]methyl]-1,3-thiazol-2-yl]acetamide

N-ethyl-N-[4-[[2-hydroxyethyl(prop-2-enyl)amino]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 115631792) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is N-ethyl-N-[4-[[2-hydroxyethyl(prop-2-enyl)amino]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-N-[4-[[2-hydroxyethyl(prop-2-enyl)amino]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID115631792
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC NameN-ethyl-N-[4-[[2-hydroxyethyl(prop-2-enyl)amino]methyl]-1,3-thiazol-2-yl]acetamide
SMILESC=CCN(CCO)Cc1csc(N(CC)C(C)=O)n1
InChIInChI=1S/C13H21N3O2S/c1-4-6-15(7-8-17)9-12-10-19-13(14-12)16(5-2)11(3)18/h4,10,17H,1,5-9H2,2-3H3
InChIKeyNDPOLVSLAWDLLT-UHFFFAOYSA-N
XLogP1.50
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[4-[[2-hydroxyethyl(prop-2-enyl)amino]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-ethyl-N-[4-[[2-hydroxyethyl(prop-2-enyl)amino]methyl]-1,3-thiazol-2-yl]acetamide (CID 115631792) is N-ethyl-N-[4-[[2-hydroxyethyl(prop-2-enyl)amino]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-ethyl-N-[4-[[2-hydroxyethyl(prop-2-enyl)amino]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-ethyl-N-[4-[[2-hydroxyethyl(prop-2-enyl)amino]methyl]-1,3-thiazol-2-yl]acetamide is C=CCN(CCO)Cc1csc(N(CC)C(C)=O)n1.
What is the InChIKey of N-ethyl-N-[4-[[2-hydroxyethyl(prop-2-enyl)amino]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is NDPOLVSLAWDLLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-4-6-15(7-8-17)9-12-10-19-13(14-12)16(5-2)11(3)18/h4,10,17H,1,5-9H2,2-3H3.
What are the key properties of N-ethyl-N-[4-[[2-hydroxyethyl(prop-2-enyl)amino]methyl]-1,3-thiazol-2-yl]acetamide?
N-ethyl-N-[4-[[2-hydroxyethyl(prop-2-enyl)amino]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 283.40 g/mol, XLogP of 1.50, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[4-[[2-hydroxyethyl(prop-2-enyl)amino]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 115631792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).