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

C12H20N2O2S2 — CID 103946274

IUPACN-(1-hydroxy-3-methylpentan-3-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
SMILESCCC(C)(CCO)NC(=O)Cc1sc(=S)[nH]c1C
InChIInChI=1S/C12H20N2O2S2/c1-4-12(3,5-6-15)14-10(16)7-9-8(2)13-11(17)18-9/h15H,4-7H2,1-3H3,(H,13,17)(H,14,16)
InChIKeyALIZVGQCCIYIIW-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.32
Rot. Bonds6

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

N-(1-hydroxy-3-methylpentan-3-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide (PubChem CID 103946274) has the molecular formula C12H20N2O2S2 and a molecular weight of 288.44 g/mol. Its IUPAC name is N-(1-hydroxy-3-methylpentan-3-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(1-hydroxy-3-methylpentan-3-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
PubChem CID103946274
Molecular FormulaC12H20N2O2S2
Molecular Weight288.44 g/mol
Exact Mass288.10
IUPAC NameN-(1-hydroxy-3-methylpentan-3-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
SMILESCCC(C)(CCO)NC(=O)Cc1sc(=S)[nH]c1C
InChIInChI=1S/C12H20N2O2S2/c1-4-12(3,5-6-15)14-10(16)7-9-8(2)13-11(17)18-9/h15H,4-7H2,1-3H3,(H,13,17)(H,14,16)
InChIKeyALIZVGQCCIYIIW-UHFFFAOYSA-N
XLogP2.32
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(1-hydroxy-3-methylpentan-3-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

N-(2-ethyl-4-hydroxybutyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
CID 103771909
N-(1-hydroxy-4-methylpentan-3-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
CID 103782538
N-(4-methyloxan-4-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
CID 103839474
N-[2-ethyl-2-(hydroxymethyl)butyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
CID 103843694
N-(1-hydroxypentan-3-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
CID 103850635
N-(4-hydroxy-3-methylbutan-2-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
CID 103855398
N-[1-(hydroxymethyl)cyclopropyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
CID 103881094
N-[1-(hydroxymethyl)cyclobutyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
CID 103881177
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
CID 104630151
N-(1,3-dihydroxy-2-methylpropan-2-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
CID 104920692
N-(1-hydroxy-4,4-dimethylpentan-3-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
CID 106357977
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
CID 107854822

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-3-methylpentan-3-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
The IUPAC name of N-(1-hydroxy-3-methylpentan-3-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide (CID 103946274) is N-(1-hydroxy-3-methylpentan-3-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide.
What is the SMILES notation for N-(1-hydroxy-3-methylpentan-3-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
The canonical SMILES for N-(1-hydroxy-3-methylpentan-3-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide is CCC(C)(CCO)NC(=O)Cc1sc(=S)[nH]c1C.
What is the InChIKey of N-(1-hydroxy-3-methylpentan-3-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
The InChIKey is ALIZVGQCCIYIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S2/c1-4-12(3,5-6-15)14-10(16)7-9-8(2)13-11(17)18-9/h15H,4-7H2,1-3H3,(H,13,17)(H,14,16).
What are the key properties of N-(1-hydroxy-3-methylpentan-3-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
N-(1-hydroxy-3-methylpentan-3-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide has a molecular weight of 288.44 g/mol, XLogP of 2.32, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-3-methylpentan-3-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide is sourced from PubChem (CID 103946274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).