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

C10H16N2OS2 — CID 47128807

IUPACN,N-diethyl-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
SMILESCCN(CC)C(=O)Cc1sc(=S)[nH]c1C
InChIInChI=1S/C10H16N2OS2/c1-4-12(5-2)9(13)6-8-7(3)11-10(14)15-8/h4-6H2,1-3H3,(H,11,14)
InChIKeyPGLOOCFTATYWNW-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.53
Rot. Bonds4

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

N,N-diethyl-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide (PubChem CID 47128807) has the molecular formula C10H16N2OS2 and a molecular weight of 244.38 g/mol. Its IUPAC name is N,N-diethyl-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
PubChem CID47128807
Molecular FormulaC10H16N2OS2
Molecular Weight244.38 g/mol
Exact Mass244.07
IUPAC NameN,N-diethyl-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
SMILESCCN(CC)C(=O)Cc1sc(=S)[nH]c1C
InChIInChI=1S/C10H16N2OS2/c1-4-12(5-2)9(13)6-8-7(3)11-10(14)15-8/h4-6H2,1-3H3,(H,11,14)
InChIKeyPGLOOCFTATYWNW-UHFFFAOYSA-N
XLogP2.53
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.53
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,N-diethyl-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
The IUPAC name of N,N-diethyl-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide (CID 47128807) is N,N-diethyl-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide.
What is the SMILES notation for N,N-diethyl-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
The canonical SMILES for N,N-diethyl-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide is CCN(CC)C(=O)Cc1sc(=S)[nH]c1C.
What is the InChIKey of N,N-diethyl-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
The InChIKey is PGLOOCFTATYWNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS2/c1-4-12(5-2)9(13)6-8-7(3)11-10(14)15-8/h4-6H2,1-3H3,(H,11,14).
What are the key properties of N,N-diethyl-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
N,N-diethyl-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide has a molecular weight of 244.38 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide is sourced from PubChem (CID 47128807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).