N-(4-hydroxybutan-2-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide

C10H16N2O2S2 — CID 103825432

IUPACN-(4-hydroxybutan-2-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
SMILESCc1[nH]c(=S)sc1CC(=O)NC(C)CCO
InChIInChI=1S/C10H16N2O2S2/c1-6(3-4-13)11-9(14)5-8-7(2)12-10(15)16-8/h6,13H,3-5H2,1-2H3,(H,11,14)(H,12,15)
InChIKeyLDJKLKXVYZEYAC-UHFFFAOYSA-N
MW260.38 g/mol
LogP1.54
Rot. Bonds5

About N-(4-hydroxybutan-2-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide

N-(4-hydroxybutan-2-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide (PubChem CID 103825432) has the molecular formula C10H16N2O2S2 and a molecular weight of 260.38 g/mol. Its IUPAC name is N-(4-hydroxybutan-2-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(4-hydroxybutan-2-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
PubChem CID103825432
Molecular FormulaC10H16N2O2S2
Molecular Weight260.38 g/mol
Exact Mass260.07
IUPAC NameN-(4-hydroxybutan-2-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
SMILESCc1[nH]c(=S)sc1CC(=O)NC(C)CCO
InChIInChI=1S/C10H16N2O2S2/c1-6(3-4-13)11-9(14)5-8-7(2)12-10(15)16-8/h6,13H,3-5H2,1-2H3,(H,11,14)(H,12,15)
InChIKeyLDJKLKXVYZEYAC-UHFFFAOYSA-N
XLogP1.54
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze N-(4-hydroxybutan-2-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-pentan-2-ylacetamide
CID 47128892
N-[2-(2-hydroxyethyl)pentyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
CID 103725485
N-(5-hydroxy-4-methylpentyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
CID 113340842
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
CID 107854822
N-tert-butyl-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
CID 103606026
N-cyclopentyl-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
CID 47125331
N-(2-methylbutan-2-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
CID 103606129
N-(3-cyano-1-phenylpropyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
CID 102560474
2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-[(1S)-1-thiophen-2-ylpropyl]acetamide
CID 94194288
N-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
CID 99579758
2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-(1-oxothian-4-yl)acetamide
CID 104580826
N-(4-ethoxyphenyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
CID 47127745

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxybutan-2-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
The IUPAC name of N-(4-hydroxybutan-2-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide (CID 103825432) is N-(4-hydroxybutan-2-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide.
What is the SMILES notation for N-(4-hydroxybutan-2-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
The canonical SMILES for N-(4-hydroxybutan-2-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide is Cc1[nH]c(=S)sc1CC(=O)NC(C)CCO.
What is the InChIKey of N-(4-hydroxybutan-2-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
The InChIKey is LDJKLKXVYZEYAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S2/c1-6(3-4-13)11-9(14)5-8-7(2)12-10(15)16-8/h6,13H,3-5H2,1-2H3,(H,11,14)(H,12,15).
What are the key properties of N-(4-hydroxybutan-2-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
N-(4-hydroxybutan-2-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide has a molecular weight of 260.38 g/mol, XLogP of 1.54, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxybutan-2-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide is sourced from PubChem (CID 103825432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).