N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methoxypropanamide

C11H18N2O2S — CID 47317483

IUPACN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methoxypropanamide
SMILESCOC(C)C(=O)NC(C)c1sc(C)nc1C
InChIInChI=1S/C11H18N2O2S/c1-6-10(16-9(4)12-6)7(2)13-11(14)8(3)15-5/h7-8H,1-5H3,(H,13,14)
InChIKeyCEVJCHCQGUUAKS-UHFFFAOYSA-N
MW242.34 g/mol
LogP1.97
Rot. Bonds4

About N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methoxypropanamide

N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methoxypropanamide (PubChem CID 47317483) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methoxypropanamide.

Molecular Properties

Compound NameN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methoxypropanamide
PubChem CID47317483
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC NameN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methoxypropanamide
SMILESCOC(C)C(=O)NC(C)c1sc(C)nc1C
InChIInChI=1S/C11H18N2O2S/c1-6-10(16-9(4)12-6)7(2)13-11(14)8(3)15-5/h7-8H,1-5H3,(H,13,14)
InChIKeyCEVJCHCQGUUAKS-UHFFFAOYSA-N
XLogP1.97
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methoxypropanamide?
The IUPAC name of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methoxypropanamide (CID 47317483) is N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methoxypropanamide.
What is the SMILES notation for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methoxypropanamide?
The canonical SMILES for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methoxypropanamide is COC(C)C(=O)NC(C)c1sc(C)nc1C.
What is the InChIKey of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methoxypropanamide?
The InChIKey is CEVJCHCQGUUAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-6-10(16-9(4)12-6)7(2)13-11(14)8(3)15-5/h7-8H,1-5H3,(H,13,14).
What are the key properties of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methoxypropanamide?
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methoxypropanamide has a molecular weight of 242.34 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methoxypropanamide is sourced from PubChem (CID 47317483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).