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

C11H14N2OS2 — CID 66243923

IUPAC2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]propan-1-amine
SMILESCC(CN)SCc1csc(-c2ccco2)n1
InChIInChI=1S/C11H14N2OS2/c1-8(5-12)15-6-9-7-16-11(13-9)10-3-2-4-14-10/h2-4,7-8H,5-6,12H2,1H3
InChIKeyYKBULADTOCEZSL-UHFFFAOYSA-N
MW254.38 g/mol
LogP2.98
Rot. Bonds5

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

2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]propan-1-amine (PubChem CID 66243923) has the molecular formula C11H14N2OS2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]propan-1-amine.

Molecular Properties

Compound Name2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]propan-1-amine
PubChem CID66243923
Molecular FormulaC11H14N2OS2
Molecular Weight254.38 g/mol
Exact Mass254.05
IUPAC Name2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]propan-1-amine
SMILESCC(CN)SCc1csc(-c2ccco2)n1
InChIInChI=1S/C11H14N2OS2/c1-8(5-12)15-6-9-7-16-11(13-9)10-3-2-4-14-10/h2-4,7-8H,5-6,12H2,1H3
InChIKeyYKBULADTOCEZSL-UHFFFAOYSA-N
XLogP2.98
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 52.98
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]propan-1-amine?
The IUPAC name of 2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]propan-1-amine (CID 66243923) is 2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]propan-1-amine.
What is the SMILES notation for 2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]propan-1-amine?
The canonical SMILES for 2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]propan-1-amine is CC(CN)SCc1csc(-c2ccco2)n1.
What is the InChIKey of 2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]propan-1-amine?
The InChIKey is YKBULADTOCEZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS2/c1-8(5-12)15-6-9-7-16-11(13-9)10-3-2-4-14-10/h2-4,7-8H,5-6,12H2,1H3.
What are the key properties of 2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]propan-1-amine?
2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]propan-1-amine has a molecular weight of 254.38 g/mol, XLogP of 2.98, 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]propan-1-amine is sourced from PubChem (CID 66243923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).