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

C12H14N2O2S2 — CID 47128642

IUPACN-[1-(furan-2-yl)ethyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
SMILESCc1[nH]c(=S)sc1CC(=O)NC(C)c1ccco1
InChIInChI=1S/C12H14N2O2S2/c1-7(9-4-3-5-16-9)13-11(15)6-10-8(2)14-12(17)18-10/h3-5,7H,6H2,1-2H3,(H,13,15)(H,14,17)
InChIKeyPGEGMAJTFORGBX-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.13
Rot. Bonds4

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

N-[1-(furan-2-yl)ethyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide (PubChem CID 47128642) has the molecular formula C12H14N2O2S2 and a molecular weight of 282.39 g/mol. Its IUPAC name is N-[1-(furan-2-yl)ethyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide.

Molecular Properties

Compound NameN-[1-(furan-2-yl)ethyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
PubChem CID47128642
Molecular FormulaC12H14N2O2S2
Molecular Weight282.39 g/mol
Exact Mass282.05
IUPAC NameN-[1-(furan-2-yl)ethyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
SMILESCc1[nH]c(=S)sc1CC(=O)NC(C)c1ccco1
InChIInChI=1S/C12H14N2O2S2/c1-7(9-4-3-5-16-9)13-11(15)6-10-8(2)14-12(17)18-10/h3-5,7H,6H2,1-2H3,(H,13,15)(H,14,17)
InChIKeyPGEGMAJTFORGBX-UHFFFAOYSA-N
XLogP3.13
TPSA58.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-acetamidophenyl)-N-[(1S)-1-(furan-2-yl)ethyl]acetamide
CID 9482244
[2-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 2,5-dimethylthiophene-3-carboxylate
CID 8644747
2-(ethylamino)-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
CID 81400688
3-amino-N-[(1R)-1-(furan-2-yl)ethyl]butanamide
CID 81400293
4-[1-(furan-2-yl)ethylamino]-4-oxobutanoic acid
CID 43535656
N-[1-(furan-2-yl)ethyl]-2-(3-methoxyphenyl)acetamide
CID 18116881
N-[1-(furan-2-yl)ethyl]acetamide
CID 22460009
N-[(1S)-1-(furan-2-yl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 103940583
2-(azetidin-3-yl)-N-[(1S)-1-(furan-2-yl)ethyl]acetamide
CID 81399568
2-[(4-fluorophenyl)sulfonylamino]-N-[1-(furan-2-yl)ethyl]acetamide
CID 166191856
ethyl N-[(1S)-1-(furan-2-yl)ethyl]carbamate
CID 81401192
ethyl N-[1-(furan-2-yl)ethyl]carbamate
CID 60660951

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)ethyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
The IUPAC name of N-[1-(furan-2-yl)ethyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide (CID 47128642) is N-[1-(furan-2-yl)ethyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide.
What is the SMILES notation for N-[1-(furan-2-yl)ethyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
The canonical SMILES for N-[1-(furan-2-yl)ethyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide is Cc1[nH]c(=S)sc1CC(=O)NC(C)c1ccco1.
What is the InChIKey of N-[1-(furan-2-yl)ethyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
The InChIKey is PGEGMAJTFORGBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S2/c1-7(9-4-3-5-16-9)13-11(15)6-10-8(2)14-12(17)18-10/h3-5,7H,6H2,1-2H3,(H,13,15)(H,14,17).
What are the key properties of N-[1-(furan-2-yl)ethyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
N-[1-(furan-2-yl)ethyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide has a molecular weight of 282.39 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)ethyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide is sourced from PubChem (CID 47128642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).