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

C12H20N2O2S — CID 91834512

IUPACN-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-2-propan-2-yloxyacetamide
SMILESCCc1nc(C)sc1CNC(=O)COC(C)C
InChIInChI=1S/C12H20N2O2S/c1-5-10-11(17-9(4)14-10)6-13-12(15)7-16-8(2)3/h8H,5-7H2,1-4H3,(H,13,15)
InChIKeyGKJMZFLIIPLSOM-UHFFFAOYSA-N
MW256.37 g/mol
LogP2.06
Rot. Bonds6

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

N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-2-propan-2-yloxyacetamide (PubChem CID 91834512) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-2-propan-2-yloxyacetamide.

Molecular Properties

Compound NameN-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-2-propan-2-yloxyacetamide
PubChem CID91834512
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC NameN-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-2-propan-2-yloxyacetamide
SMILESCCc1nc(C)sc1CNC(=O)COC(C)C
InChIInChI=1S/C12H20N2O2S/c1-5-10-11(17-9(4)14-10)6-13-12(15)7-16-8(2)3/h8H,5-7H2,1-4H3,(H,13,15)
InChIKeyGKJMZFLIIPLSOM-UHFFFAOYSA-N
XLogP2.06
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-2-propan-2-yloxyacetamide?
The IUPAC name of N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-2-propan-2-yloxyacetamide (CID 91834512) is N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-2-propan-2-yloxyacetamide.
What is the SMILES notation for N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-2-propan-2-yloxyacetamide?
The canonical SMILES for N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-2-propan-2-yloxyacetamide is CCc1nc(C)sc1CNC(=O)COC(C)C.
What is the InChIKey of N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-2-propan-2-yloxyacetamide?
The InChIKey is GKJMZFLIIPLSOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-5-10-11(17-9(4)14-10)6-13-12(15)7-16-8(2)3/h8H,5-7H2,1-4H3,(H,13,15).
What are the key properties of N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-2-propan-2-yloxyacetamide?
N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-2-propan-2-yloxyacetamide has a molecular weight of 256.37 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-2-propan-2-yloxyacetamide is sourced from PubChem (CID 91834512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).