N-(2-methylpropyl)-2-(2-oxo-1,3-thiazol-3-yl)acetamide

C9H14N2O2S — CID 115646877

IUPACN-(2-methylpropyl)-2-(2-oxo-1,3-thiazol-3-yl)acetamide
SMILESCC(C)CNC(=O)Cn1ccsc1=O
InChIInChI=1S/C9H14N2O2S/c1-7(2)5-10-8(12)6-11-3-4-14-9(11)13/h3-4,7H,5-6H2,1-2H3,(H,10,12)
InChIKeyFHEITVKJKTZLPI-UHFFFAOYSA-N
MW214.29 g/mol
LogP0.68
Rot. Bonds4

About N-(2-methylpropyl)-2-(2-oxo-1,3-thiazol-3-yl)acetamide

N-(2-methylpropyl)-2-(2-oxo-1,3-thiazol-3-yl)acetamide (PubChem CID 115646877) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-(2-oxo-1,3-thiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-(2-oxo-1,3-thiazol-3-yl)acetamide
PubChem CID115646877
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC NameN-(2-methylpropyl)-2-(2-oxo-1,3-thiazol-3-yl)acetamide
SMILESCC(C)CNC(=O)Cn1ccsc1=O
InChIInChI=1S/C9H14N2O2S/c1-7(2)5-10-8(12)6-11-3-4-14-9(11)13/h3-4,7H,5-6H2,1-2H3,(H,10,12)
InChIKeyFHEITVKJKTZLPI-UHFFFAOYSA-N
XLogP0.68
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-(2-oxo-1,3-thiazol-3-yl)acetamide?
The IUPAC name of N-(2-methylpropyl)-2-(2-oxo-1,3-thiazol-3-yl)acetamide (CID 115646877) is N-(2-methylpropyl)-2-(2-oxo-1,3-thiazol-3-yl)acetamide.
What is the SMILES notation for N-(2-methylpropyl)-2-(2-oxo-1,3-thiazol-3-yl)acetamide?
The canonical SMILES for N-(2-methylpropyl)-2-(2-oxo-1,3-thiazol-3-yl)acetamide is CC(C)CNC(=O)Cn1ccsc1=O.
What is the InChIKey of N-(2-methylpropyl)-2-(2-oxo-1,3-thiazol-3-yl)acetamide?
The InChIKey is FHEITVKJKTZLPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-7(2)5-10-8(12)6-11-3-4-14-9(11)13/h3-4,7H,5-6H2,1-2H3,(H,10,12).
What are the key properties of N-(2-methylpropyl)-2-(2-oxo-1,3-thiazol-3-yl)acetamide?
N-(2-methylpropyl)-2-(2-oxo-1,3-thiazol-3-yl)acetamide has a molecular weight of 214.29 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-(2-oxo-1,3-thiazol-3-yl)acetamide is sourced from PubChem (CID 115646877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).