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

C10H16N2OS2 — CID 47128909

IUPACN-butan-2-yl-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
SMILESCCC(C)NC(=O)Cc1sc(=S)[nH]c1C
InChIInChI=1S/C10H16N2OS2/c1-4-6(2)11-9(13)5-8-7(3)12-10(14)15-8/h6H,4-5H2,1-3H3,(H,11,13)(H,12,14)
InChIKeyKYFAZOZBUIXJHO-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.57
Rot. Bonds4

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

N-butan-2-yl-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide (PubChem CID 47128909) has the molecular formula C10H16N2OS2 and a molecular weight of 244.38 g/mol. Its IUPAC name is N-butan-2-yl-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
PubChem CID47128909
Molecular FormulaC10H16N2OS2
Molecular Weight244.38 g/mol
Exact Mass244.07
IUPAC NameN-butan-2-yl-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
SMILESCCC(C)NC(=O)Cc1sc(=S)[nH]c1C
InChIInChI=1S/C10H16N2OS2/c1-4-6(2)11-9(13)5-8-7(3)12-10(14)15-8/h6H,4-5H2,1-3H3,(H,11,13)(H,12,14)
InChIKeyKYFAZOZBUIXJHO-UHFFFAOYSA-N
XLogP2.57
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-butan-2-yl-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
The IUPAC name of N-butan-2-yl-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide (CID 47128909) is N-butan-2-yl-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide.
What is the SMILES notation for N-butan-2-yl-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
The canonical SMILES for N-butan-2-yl-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide is CCC(C)NC(=O)Cc1sc(=S)[nH]c1C.
What is the InChIKey of N-butan-2-yl-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
The InChIKey is KYFAZOZBUIXJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS2/c1-4-6(2)11-9(13)5-8-7(3)12-10(14)15-8/h6H,4-5H2,1-3H3,(H,11,13)(H,12,14).
What are the key properties of N-butan-2-yl-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
N-butan-2-yl-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide has a molecular weight of 244.38 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide is sourced from PubChem (CID 47128909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).