N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide

C11H16N2O3S — CID 80712289

IUPACN-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
SMILESCc1csc(=O)n1CC(=O)NCC1(CO)CC1
InChIInChI=1S/C11H16N2O3S/c1-8-5-17-10(16)13(8)4-9(15)12-6-11(7-14)2-3-11/h5,14H,2-4,6-7H2,1H3,(H,12,15)
InChIKeyGLNZIVOTEMLJCE-UHFFFAOYSA-N
MW256.33 g/mol
LogP0.11
Rot. Bonds5

About N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide

N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide (PubChem CID 80712289) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
PubChem CID80712289
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC NameN-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
SMILESCc1csc(=O)n1CC(=O)NCC1(CO)CC1
InChIInChI=1S/C11H16N2O3S/c1-8-5-17-10(16)13(8)4-9(15)12-6-11(7-14)2-3-11/h5,14H,2-4,6-7H2,1H3,(H,12,15)
InChIKeyGLNZIVOTEMLJCE-UHFFFAOYSA-N
XLogP0.11
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The IUPAC name of N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide (CID 80712289) is N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide.
What is the SMILES notation for N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The canonical SMILES for N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide is Cc1csc(=O)n1CC(=O)NCC1(CO)CC1.
What is the InChIKey of N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The InChIKey is GLNZIVOTEMLJCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-8-5-17-10(16)13(8)4-9(15)12-6-11(7-14)2-3-11/h5,14H,2-4,6-7H2,1H3,(H,12,15).
What are the key properties of N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide has a molecular weight of 256.33 g/mol, XLogP of 0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide is sourced from PubChem (CID 80712289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).