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

C10H16N2O3S2 — CID 104920692

IUPACN-(1,3-dihydroxy-2-methylpropan-2-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
SMILESCc1[nH]c(=S)sc1CC(=O)NC(C)(CO)CO
InChIInChI=1S/C10H16N2O3S2/c1-6-7(17-9(16)11-6)3-8(15)12-10(2,4-13)5-14/h13-14H,3-5H2,1-2H3,(H,11,16)(H,12,15)
InChIKeySEWXYLWMFGCNIG-UHFFFAOYSA-N
MW276.38 g/mol
LogP0.52
Rot. Bonds5

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

N-(1,3-dihydroxy-2-methylpropan-2-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide (PubChem CID 104920692) has the molecular formula C10H16N2O3S2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-(1,3-dihydroxy-2-methylpropan-2-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(1,3-dihydroxy-2-methylpropan-2-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
PubChem CID104920692
Molecular FormulaC10H16N2O3S2
Molecular Weight276.38 g/mol
Exact Mass276.06
IUPAC NameN-(1,3-dihydroxy-2-methylpropan-2-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
SMILESCc1[nH]c(=S)sc1CC(=O)NC(C)(CO)CO
InChIInChI=1S/C10H16N2O3S2/c1-6-7(17-9(16)11-6)3-8(15)12-10(2,4-13)5-14/h13-14H,3-5H2,1-2H3,(H,11,16)(H,12,15)
InChIKeySEWXYLWMFGCNIG-UHFFFAOYSA-N
XLogP0.52
TPSA85.35 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 50.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxyethyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
CID 103608167
N-ethyl-N-(2-hydroxyethyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
CID 103612765
N-(1-hydroxypropan-2-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
CID 103612934
N-(1-hydroxypropan-2-yl)-N-methyl-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
CID 103874504
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-3-methylpentan-3-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
CID 103946274
N-(1,3-dihydroxypropan-2-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
CID 104580712
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
CID 104630151
N-(2-hydroxyethyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-propan-2-ylacetamide
CID 107026278
N-(1-hydroxy-3-methylbutan-2-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
CID 107032024
N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
CID 107035278

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dihydroxy-2-methylpropan-2-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
The IUPAC name of N-(1,3-dihydroxy-2-methylpropan-2-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide (CID 104920692) is N-(1,3-dihydroxy-2-methylpropan-2-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide.
What is the SMILES notation for N-(1,3-dihydroxy-2-methylpropan-2-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
The canonical SMILES for N-(1,3-dihydroxy-2-methylpropan-2-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide is Cc1[nH]c(=S)sc1CC(=O)NC(C)(CO)CO.
What is the InChIKey of N-(1,3-dihydroxy-2-methylpropan-2-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
The InChIKey is SEWXYLWMFGCNIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S2/c1-6-7(17-9(16)11-6)3-8(15)12-10(2,4-13)5-14/h13-14H,3-5H2,1-2H3,(H,11,16)(H,12,15).
What are the key properties of N-(1,3-dihydroxy-2-methylpropan-2-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
N-(1,3-dihydroxy-2-methylpropan-2-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide has a molecular weight of 276.38 g/mol, XLogP of 0.52, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dihydroxy-2-methylpropan-2-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide is sourced from PubChem (CID 104920692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).