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

C11H12N2O2S2 — CID 34510981

IUPAC3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]propanamide
SMILESNC(=O)CCSCc1csc(-c2ccco2)n1
InChIInChI=1S/C11H12N2O2S2/c12-10(14)3-5-16-6-8-7-17-11(13-8)9-2-1-4-15-9/h1-2,4,7H,3,5-6H2,(H2,12,14)
InChIKeyNNLGGRIRPQMVET-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.51
Rot. Bonds6

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

3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]propanamide (PubChem CID 34510981) has the molecular formula C11H12N2O2S2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]propanamide.

Molecular Properties

Compound Name3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]propanamide
PubChem CID34510981
Molecular FormulaC11H12N2O2S2
Molecular Weight268.36 g/mol
Exact Mass268.03
IUPAC Name3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]propanamide
SMILESNC(=O)CCSCc1csc(-c2ccco2)n1
InChIInChI=1S/C11H12N2O2S2/c12-10(14)3-5-16-6-8-7-17-11(13-8)9-2-1-4-15-9/h1-2,4,7H,3,5-6H2,(H2,12,14)
InChIKeyNNLGGRIRPQMVET-UHFFFAOYSA-N
XLogP2.51
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]propanamide?
The IUPAC name of 3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]propanamide (CID 34510981) is 3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]propanamide.
What is the SMILES notation for 3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]propanamide?
The canonical SMILES for 3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]propanamide is NC(=O)CCSCc1csc(-c2ccco2)n1.
What is the InChIKey of 3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]propanamide?
The InChIKey is NNLGGRIRPQMVET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S2/c12-10(14)3-5-16-6-8-7-17-11(13-8)9-2-1-4-15-9/h1-2,4,7H,3,5-6H2,(H2,12,14).
What are the key properties of 3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]propanamide?
3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]propanamide has a molecular weight of 268.36 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]propanamide is sourced from PubChem (CID 34510981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).