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

C11H18N2O2S2 — CID 107032024

IUPACN-(1-hydroxy-3-methylbutan-2-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
SMILESCc1[nH]c(=S)sc1CC(=O)NC(CO)C(C)C
InChIInChI=1S/C11H18N2O2S2/c1-6(2)8(5-14)13-10(15)4-9-7(3)12-11(16)17-9/h6,8,14H,4-5H2,1-3H3,(H,12,16)(H,13,15)
InChIKeySMAHGDOGCBRXKB-UHFFFAOYSA-N
MW274.41 g/mol
LogP1.79
Rot. Bonds5

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

N-(1-hydroxy-3-methylbutan-2-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide (PubChem CID 107032024) has the molecular formula C11H18N2O2S2 and a molecular weight of 274.41 g/mol. Its IUPAC name is N-(1-hydroxy-3-methylbutan-2-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(1-hydroxy-3-methylbutan-2-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
PubChem CID107032024
Molecular FormulaC11H18N2O2S2
Molecular Weight274.41 g/mol
Exact Mass274.08
IUPAC NameN-(1-hydroxy-3-methylbutan-2-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
SMILESCc1[nH]c(=S)sc1CC(=O)NC(CO)C(C)C
InChIInChI=1S/C11H18N2O2S2/c1-6(2)8(5-14)13-10(15)4-9-7(3)12-11(16)17-9/h6,8,14H,4-5H2,1-3H3,(H,12,16)(H,13,15)
InChIKeySMAHGDOGCBRXKB-UHFFFAOYSA-N
XLogP1.79
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 ≤ 51.79
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-(1-hydroxy-3-methylbutan-2-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
The IUPAC name of N-(1-hydroxy-3-methylbutan-2-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide (CID 107032024) is N-(1-hydroxy-3-methylbutan-2-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide.
What is the SMILES notation for N-(1-hydroxy-3-methylbutan-2-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
The canonical SMILES for N-(1-hydroxy-3-methylbutan-2-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide is Cc1[nH]c(=S)sc1CC(=O)NC(CO)C(C)C.
What is the InChIKey of N-(1-hydroxy-3-methylbutan-2-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
The InChIKey is SMAHGDOGCBRXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S2/c1-6(2)8(5-14)13-10(15)4-9-7(3)12-11(16)17-9/h6,8,14H,4-5H2,1-3H3,(H,12,16)(H,13,15).
What are the key properties of N-(1-hydroxy-3-methylbutan-2-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
N-(1-hydroxy-3-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 1.79, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-3-methylbutan-2-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide is sourced from PubChem (CID 107032024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).