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

C11H18N2O2S2 — CID 107035278

IUPACN-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
SMILESCc1[nH]c(=S)sc1CC(=O)N(C)C(C)(C)CO
InChIInChI=1S/C11H18N2O2S2/c1-7-8(17-10(16)12-7)5-9(15)13(4)11(2,3)6-14/h14H,5-6H2,1-4H3,(H,12,16)
InChIKeyRHZNRFGMDNOCGC-UHFFFAOYSA-N
MW274.41 g/mol
LogP1.89
Rot. Bonds4

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

N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide (PubChem CID 107035278) has the molecular formula C11H18N2O2S2 and a molecular weight of 274.41 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
PubChem CID107035278
Molecular FormulaC11H18N2O2S2
Molecular Weight274.41 g/mol
Exact Mass274.08
IUPAC NameN-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
SMILESCc1[nH]c(=S)sc1CC(=O)N(C)C(C)(C)CO
InChIInChI=1S/C11H18N2O2S2/c1-7-8(17-10(16)12-7)5-9(15)13(4)11(2,3)6-14/h14H,5-6H2,1-4H3,(H,12,16)
InChIKeyRHZNRFGMDNOCGC-UHFFFAOYSA-N
XLogP1.89
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
The IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide (CID 107035278) is N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide.
What is the SMILES notation for N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
The canonical SMILES for N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide is Cc1[nH]c(=S)sc1CC(=O)N(C)C(C)(C)CO.
What is the InChIKey of N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
The InChIKey is RHZNRFGMDNOCGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S2/c1-7-8(17-10(16)12-7)5-9(15)13(4)11(2,3)6-14/h14H,5-6H2,1-4H3,(H,12,16).
What are the key properties of N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide has a molecular weight of 274.41 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide is sourced from PubChem (CID 107035278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).