3-ethoxy-N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]propanamide

C13H22N2O2S — CID 118779746

IUPAC3-ethoxy-N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]propanamide
SMILESCCOCCC(=O)NCc1sc(C(C)C)nc1C
InChIInChI=1S/C13H22N2O2S/c1-5-17-7-6-12(16)14-8-11-10(4)15-13(18-11)9(2)3/h9H,5-8H2,1-4H3,(H,14,16)
InChIKeyREVJUPWULNANBN-UHFFFAOYSA-N
MW270.40 g/mol
LogP2.62
Rot. Bonds7

About 3-ethoxy-N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]propanamide

3-ethoxy-N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]propanamide (PubChem CID 118779746) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is 3-ethoxy-N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]propanamide.

Molecular Properties

Compound Name3-ethoxy-N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]propanamide
PubChem CID118779746
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC Name3-ethoxy-N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]propanamide
SMILESCCOCCC(=O)NCc1sc(C(C)C)nc1C
InChIInChI=1S/C13H22N2O2S/c1-5-17-7-6-12(16)14-8-11-10(4)15-13(18-11)9(2)3/h9H,5-8H2,1-4H3,(H,14,16)
InChIKeyREVJUPWULNANBN-UHFFFAOYSA-N
XLogP2.62
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 3-ethoxy-N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]propanamide?
The IUPAC name of 3-ethoxy-N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]propanamide (CID 118779746) is 3-ethoxy-N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]propanamide.
What is the SMILES notation for 3-ethoxy-N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]propanamide?
The canonical SMILES for 3-ethoxy-N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]propanamide is CCOCCC(=O)NCc1sc(C(C)C)nc1C.
What is the InChIKey of 3-ethoxy-N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]propanamide?
The InChIKey is REVJUPWULNANBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-5-17-7-6-12(16)14-8-11-10(4)15-13(18-11)9(2)3/h9H,5-8H2,1-4H3,(H,14,16).
What are the key properties of 3-ethoxy-N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]propanamide?
3-ethoxy-N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]propanamide has a molecular weight of 270.40 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]propanamide is sourced from PubChem (CID 118779746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).