2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-N-methylacetamide

C11H12N2O2S2 — CID 38636430

IUPAC2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-N-methylacetamide
SMILESCNC(=O)CSCc1csc(-c2ccco2)n1
InChIInChI=1S/C11H12N2O2S2/c1-12-10(14)7-16-5-8-6-17-11(13-8)9-3-2-4-15-9/h2-4,6H,5,7H2,1H3,(H,12,14)
InChIKeyMZCJQYCJNSDGLS-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.38
Rot. Bonds5

About 2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-N-methylacetamide

2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-N-methylacetamide (PubChem CID 38636430) has the molecular formula C11H12N2O2S2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-N-methylacetamide
PubChem CID38636430
Molecular FormulaC11H12N2O2S2
Molecular Weight268.36 g/mol
Exact Mass268.03
IUPAC Name2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-N-methylacetamide
SMILESCNC(=O)CSCc1csc(-c2ccco2)n1
InChIInChI=1S/C11H12N2O2S2/c1-12-10(14)7-16-5-8-6-17-11(13-8)9-3-2-4-15-9/h2-4,6H,5,7H2,1H3,(H,12,14)
InChIKeyMZCJQYCJNSDGLS-UHFFFAOYSA-N
XLogP2.38
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-N-methylacetamide?
The IUPAC name of 2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-N-methylacetamide (CID 38636430) is 2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-N-methylacetamide.
What is the SMILES notation for 2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-N-methylacetamide?
The canonical SMILES for 2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-N-methylacetamide is CNC(=O)CSCc1csc(-c2ccco2)n1.
What is the InChIKey of 2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-N-methylacetamide?
The InChIKey is MZCJQYCJNSDGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S2/c1-12-10(14)7-16-5-8-6-17-11(13-8)9-3-2-4-15-9/h2-4,6H,5,7H2,1H3,(H,12,14).
What are the key properties of 2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-N-methylacetamide?
2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-N-methylacetamide has a molecular weight of 268.36 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-N-methylacetamide is sourced from PubChem (CID 38636430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).