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

C10H16N2O2S2 — CID 103612765

IUPACN-ethyl-N-(2-hydroxyethyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
SMILESCCN(CCO)C(=O)Cc1sc(=S)[nH]c1C
InChIInChI=1S/C10H16N2O2S2/c1-3-12(4-5-13)9(14)6-8-7(2)11-10(15)16-8/h13H,3-6H2,1-2H3,(H,11,15)
InChIKeyHYQMSZVYYOBCPD-UHFFFAOYSA-N
MW260.38 g/mol
LogP1.50
Rot. Bonds5

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

N-ethyl-N-(2-hydroxyethyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide (PubChem CID 103612765) has the molecular formula C10H16N2O2S2 and a molecular weight of 260.38 g/mol. Its IUPAC name is N-ethyl-N-(2-hydroxyethyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide.

Molecular Properties

Compound NameN-ethyl-N-(2-hydroxyethyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
PubChem CID103612765
Molecular FormulaC10H16N2O2S2
Molecular Weight260.38 g/mol
Exact Mass260.07
IUPAC NameN-ethyl-N-(2-hydroxyethyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
SMILESCCN(CCO)C(=O)Cc1sc(=S)[nH]c1C
InChIInChI=1S/C10H16N2O2S2/c1-3-12(4-5-13)9(14)6-8-7(2)11-10(15)16-8/h13H,3-6H2,1-2H3,(H,11,15)
InChIKeyHYQMSZVYYOBCPD-UHFFFAOYSA-N
XLogP1.50
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 51.50
H-Bond Donors ≤ 52
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-ethyl-N-(2-hydroxyethyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
The IUPAC name of N-ethyl-N-(2-hydroxyethyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide (CID 103612765) is N-ethyl-N-(2-hydroxyethyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide.
What is the SMILES notation for N-ethyl-N-(2-hydroxyethyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
The canonical SMILES for N-ethyl-N-(2-hydroxyethyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide is CCN(CCO)C(=O)Cc1sc(=S)[nH]c1C.
What is the InChIKey of N-ethyl-N-(2-hydroxyethyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
The InChIKey is HYQMSZVYYOBCPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S2/c1-3-12(4-5-13)9(14)6-8-7(2)11-10(15)16-8/h13H,3-6H2,1-2H3,(H,11,15).
What are the key properties of N-ethyl-N-(2-hydroxyethyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
N-ethyl-N-(2-hydroxyethyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide has a molecular weight of 260.38 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-hydroxyethyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide is sourced from PubChem (CID 103612765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).