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

C12H20N2OS2 — CID 47163543

IUPACN-ethyl-N-(2-methylpropyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
SMILESCCN(CC(C)C)C(=O)Cc1sc(=S)[nH]c1C
InChIInChI=1S/C12H20N2OS2/c1-5-14(7-8(2)3)11(15)6-10-9(4)13-12(16)17-10/h8H,5-7H2,1-4H3,(H,13,16)
InChIKeyIMZSQTLTSQHOQN-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.16
Rot. Bonds5

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

N-ethyl-N-(2-methylpropyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide (PubChem CID 47163543) has the molecular formula C12H20N2OS2 and a molecular weight of 272.44 g/mol. Its IUPAC name is N-ethyl-N-(2-methylpropyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide.

Molecular Properties

Compound NameN-ethyl-N-(2-methylpropyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
PubChem CID47163543
Molecular FormulaC12H20N2OS2
Molecular Weight272.44 g/mol
Exact Mass272.10
IUPAC NameN-ethyl-N-(2-methylpropyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
SMILESCCN(CC(C)C)C(=O)Cc1sc(=S)[nH]c1C
InChIInChI=1S/C12H20N2OS2/c1-5-14(7-8(2)3)11(15)6-10-9(4)13-12(16)17-10/h8H,5-7H2,1-4H3,(H,13,16)
InChIKeyIMZSQTLTSQHOQN-UHFFFAOYSA-N
XLogP3.16
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.16
H-Bond Donors ≤ 51
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-ethyl-N-(2-methylpropyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
The IUPAC name of N-ethyl-N-(2-methylpropyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide (CID 47163543) is N-ethyl-N-(2-methylpropyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide.
What is the SMILES notation for N-ethyl-N-(2-methylpropyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
The canonical SMILES for N-ethyl-N-(2-methylpropyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide is CCN(CC(C)C)C(=O)Cc1sc(=S)[nH]c1C.
What is the InChIKey of N-ethyl-N-(2-methylpropyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
The InChIKey is IMZSQTLTSQHOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS2/c1-5-14(7-8(2)3)11(15)6-10-9(4)13-12(16)17-10/h8H,5-7H2,1-4H3,(H,13,16).
What are the key properties of N-ethyl-N-(2-methylpropyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
N-ethyl-N-(2-methylpropyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide has a molecular weight of 272.44 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-methylpropyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide is sourced from PubChem (CID 47163543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).