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

C11H18N2OS2 — CID 47128474

IUPAC2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-pentylacetamide
SMILESCCCCCNC(=O)Cc1sc(=S)[nH]c1C
InChIInChI=1S/C11H18N2OS2/c1-3-4-5-6-12-10(14)7-9-8(2)13-11(15)16-9/h3-7H2,1-2H3,(H,12,14)(H,13,15)
InChIKeyLSDWYQBAHNQMPG-UHFFFAOYSA-N
MW258.41 g/mol
LogP2.96
Rot. Bonds6

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

2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-pentylacetamide (PubChem CID 47128474) has the molecular formula C11H18N2OS2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-pentylacetamide.

Molecular Properties

Compound Name2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-pentylacetamide
PubChem CID47128474
Molecular FormulaC11H18N2OS2
Molecular Weight258.41 g/mol
Exact Mass258.09
IUPAC Name2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-pentylacetamide
SMILESCCCCCNC(=O)Cc1sc(=S)[nH]c1C
InChIInChI=1S/C11H18N2OS2/c1-3-4-5-6-12-10(14)7-9-8(2)13-11(15)16-9/h3-7H2,1-2H3,(H,12,14)(H,13,15)
InChIKeyLSDWYQBAHNQMPG-UHFFFAOYSA-N
XLogP2.96
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-(5-hydroxy-4-methylpentyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
CID 113340842
N-[3-[(1R,2R)-2-hydroxycyclohexyl]propyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
CID 99636177
N-[(1-methoxycyclobutyl)methyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
CID 113364785
N-[(1,1-dioxothiolan-2-yl)methyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
CID 103787685
2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-pentylacetamide
CID 29435290
N-[(1S,3R)-2,2-diethyl-3-methoxycyclobutyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
CID 99634220
2-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)-N-pentylacetamide
CID 110329211
N-butyl-N'-pentylpropanediamide
CID 89202031
N-dodecyl-2-[4-[2-(dodecylamino)-2-oxoethyl]-2,5-dihydroxyphenyl]acetamide
CID 15131759
N-[2-(2-methoxyethyl)phenyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
CID 102978274
N-(2-bromo-3-methylphenyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
CID 107033225
N-(5-methyl-6-oxo-1H-pyridin-3-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
CID 99710479

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-pentylacetamide?
The IUPAC name of 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-pentylacetamide (CID 47128474) is 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-pentylacetamide.
What is the SMILES notation for 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-pentylacetamide?
The canonical SMILES for 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-pentylacetamide is CCCCCNC(=O)Cc1sc(=S)[nH]c1C.
What is the InChIKey of 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-pentylacetamide?
The InChIKey is LSDWYQBAHNQMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS2/c1-3-4-5-6-12-10(14)7-9-8(2)13-11(15)16-9/h3-7H2,1-2H3,(H,12,14)(H,13,15).
What are the key properties of 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-pentylacetamide?
2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-pentylacetamide has a molecular weight of 258.41 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-pentylacetamide is sourced from PubChem (CID 47128474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).