2-cyclopropylethyl 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetate

C11H15NO2S2 — CID 106207980

IUPAC2-cyclopropylethyl 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetate
SMILESCc1[nH]c(=S)sc1CC(=O)OCCC1CC1
InChIInChI=1S/C11H15NO2S2/c1-7-9(16-11(15)12-7)6-10(13)14-5-4-8-2-3-8/h8H,2-6H2,1H3,(H,12,15)
InChIKeyRERMFYVTJMLOPG-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.00
Rot. Bonds5

About 2-cyclopropylethyl 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetate

2-cyclopropylethyl 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetate (PubChem CID 106207980) has the molecular formula C11H15NO2S2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-cyclopropylethyl 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetate.

Molecular Properties

Compound Name2-cyclopropylethyl 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetate
PubChem CID106207980
Molecular FormulaC11H15NO2S2
Molecular Weight257.38 g/mol
Exact Mass257.05
IUPAC Name2-cyclopropylethyl 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetate
SMILESCc1[nH]c(=S)sc1CC(=O)OCCC1CC1
InChIInChI=1S/C11H15NO2S2/c1-7-9(16-11(15)12-7)6-10(13)14-5-4-8-2-3-8/h8H,2-6H2,1H3,(H,12,15)
InChIKeyRERMFYVTJMLOPG-UHFFFAOYSA-N
XLogP3.00
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.00
H-Bond Donors ≤ 51
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 2-cyclopropylethyl 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetate?
The IUPAC name of 2-cyclopropylethyl 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetate (CID 106207980) is 2-cyclopropylethyl 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetate.
What is the SMILES notation for 2-cyclopropylethyl 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetate?
The canonical SMILES for 2-cyclopropylethyl 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetate is Cc1[nH]c(=S)sc1CC(=O)OCCC1CC1.
What is the InChIKey of 2-cyclopropylethyl 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetate?
The InChIKey is RERMFYVTJMLOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S2/c1-7-9(16-11(15)12-7)6-10(13)14-5-4-8-2-3-8/h8H,2-6H2,1H3,(H,12,15).
What are the key properties of 2-cyclopropylethyl 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetate?
2-cyclopropylethyl 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetate has a molecular weight of 257.38 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropylethyl 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetate is sourced from PubChem (CID 106207980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).