N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide

C11H18N2O3S2 — CID 104630151

IUPACN-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
SMILESCCC(CO)(CO)NC(=O)Cc1sc(=S)[nH]c1C
InChIInChI=1S/C11H18N2O3S2/c1-3-11(5-14,6-15)13-9(16)4-8-7(2)12-10(17)18-8/h14-15H,3-6H2,1-2H3,(H,12,17)(H,13,16)
InChIKeyFOCYKVSGMKOGSA-UHFFFAOYSA-N
MW290.41 g/mol
LogP0.91
Rot. Bonds6

About N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide

N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide (PubChem CID 104630151) has the molecular formula C11H18N2O3S2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide.

Molecular Properties

Compound NameN-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
PubChem CID104630151
Molecular FormulaC11H18N2O3S2
Molecular Weight290.41 g/mol
Exact Mass290.08
IUPAC NameN-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
SMILESCCC(CO)(CO)NC(=O)Cc1sc(=S)[nH]c1C
InChIInChI=1S/C11H18N2O3S2/c1-3-11(5-14,6-15)13-9(16)4-8-7(2)12-10(17)18-8/h14-15H,3-6H2,1-2H3,(H,12,17)(H,13,16)
InChIKeyFOCYKVSGMKOGSA-UHFFFAOYSA-N
XLogP0.91
TPSA85.35 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 50.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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-(hydroxymethyl)butan-2-yl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
The IUPAC name of N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide (CID 104630151) is N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide.
What is the SMILES notation for N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
The canonical SMILES for N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide is CCC(CO)(CO)NC(=O)Cc1sc(=S)[nH]c1C.
What is the InChIKey of N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
The InChIKey is FOCYKVSGMKOGSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S2/c1-3-11(5-14,6-15)13-9(16)4-8-7(2)12-10(17)18-8/h14-15H,3-6H2,1-2H3,(H,12,17)(H,13,16).
What are the key properties of N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide has a molecular weight of 290.41 g/mol, XLogP of 0.91, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide is sourced from PubChem (CID 104630151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).