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

C11H18N2O2S2 — CID 113356425

IUPACN-(4-hydroxy-2-methylbutan-2-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
SMILESCc1[nH]c(=S)sc1CC(=O)NC(C)(C)CCO
InChIInChI=1S/C11H18N2O2S2/c1-7-8(17-10(16)12-7)6-9(15)13-11(2,3)4-5-14/h14H,4-6H2,1-3H3,(H,12,16)(H,13,15)
InChIKeyBPDSRQOIGNPUJK-UHFFFAOYSA-N
MW274.41 g/mol
LogP1.93
Rot. Bonds5

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

N-(4-hydroxy-2-methylbutan-2-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide (PubChem CID 113356425) has the molecular formula C11H18N2O2S2 and a molecular weight of 274.41 g/mol. Its IUPAC name is N-(4-hydroxy-2-methylbutan-2-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(4-hydroxy-2-methylbutan-2-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
PubChem CID113356425
Molecular FormulaC11H18N2O2S2
Molecular Weight274.41 g/mol
Exact Mass274.08
IUPAC NameN-(4-hydroxy-2-methylbutan-2-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
SMILESCc1[nH]c(=S)sc1CC(=O)NC(C)(C)CCO
InChIInChI=1S/C11H18N2O2S2/c1-7-8(17-10(16)12-7)6-9(15)13-11(2,3)4-5-14/h14H,4-6H2,1-3H3,(H,12,16)(H,13,15)
InChIKeyBPDSRQOIGNPUJK-UHFFFAOYSA-N
XLogP1.93
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 51.93
H-Bond Donors ≤ 53
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-(4-hydroxy-2-methylbutan-2-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
The IUPAC name of N-(4-hydroxy-2-methylbutan-2-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide (CID 113356425) is N-(4-hydroxy-2-methylbutan-2-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide.
What is the SMILES notation for N-(4-hydroxy-2-methylbutan-2-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
The canonical SMILES for N-(4-hydroxy-2-methylbutan-2-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide is Cc1[nH]c(=S)sc1CC(=O)NC(C)(C)CCO.
What is the InChIKey of N-(4-hydroxy-2-methylbutan-2-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
The InChIKey is BPDSRQOIGNPUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S2/c1-7-8(17-10(16)12-7)6-9(15)13-11(2,3)4-5-14/h14H,4-6H2,1-3H3,(H,12,16)(H,13,15).
What are the key properties of N-(4-hydroxy-2-methylbutan-2-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
N-(4-hydroxy-2-methylbutan-2-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide has a molecular weight of 274.41 g/mol, XLogP of 1.93, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2-methylbutan-2-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide is sourced from PubChem (CID 113356425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).