1-[2-amino-4-(furan-2-yl)-1,3-thiazol-5-yl]-3-ethoxypropan-1-one

C12H14N2O3S — CID 86060932

IUPAC1-[2-amino-4-(furan-2-yl)-1,3-thiazol-5-yl]-3-ethoxypropan-1-one
SMILESCCOCCC(=O)c1sc(N)nc1-c1ccco1
InChIInChI=1S/C12H14N2O3S/c1-2-16-7-5-8(15)11-10(14-12(13)18-11)9-4-3-6-17-9/h3-4,6H,2,5,7H2,1H3,(H2,13,14)
InChIKeyXCSJXWMIKXLNQM-UHFFFAOYSA-N
MW266.32 g/mol
LogP2.59
Rot. Bonds6

About 1-[2-amino-4-(furan-2-yl)-1,3-thiazol-5-yl]-3-ethoxypropan-1-one

1-[2-amino-4-(furan-2-yl)-1,3-thiazol-5-yl]-3-ethoxypropan-1-one (PubChem CID 86060932) has the molecular formula C12H14N2O3S and a molecular weight of 266.32 g/mol. Its IUPAC name is 1-[2-amino-4-(furan-2-yl)-1,3-thiazol-5-yl]-3-ethoxypropan-1-one.

Molecular Properties

Compound Name1-[2-amino-4-(furan-2-yl)-1,3-thiazol-5-yl]-3-ethoxypropan-1-one
PubChem CID86060932
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC Name1-[2-amino-4-(furan-2-yl)-1,3-thiazol-5-yl]-3-ethoxypropan-1-one
SMILESCCOCCC(=O)c1sc(N)nc1-c1ccco1
InChIInChI=1S/C12H14N2O3S/c1-2-16-7-5-8(15)11-10(14-12(13)18-11)9-4-3-6-17-9/h3-4,6H,2,5,7H2,1H3,(H2,13,14)
InChIKeyXCSJXWMIKXLNQM-UHFFFAOYSA-N
XLogP2.59
TPSA78.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 1-[2-amino-4-(furan-2-yl)-1,3-thiazol-5-yl]-3-ethoxypropan-1-one?
The IUPAC name of 1-[2-amino-4-(furan-2-yl)-1,3-thiazol-5-yl]-3-ethoxypropan-1-one (CID 86060932) is 1-[2-amino-4-(furan-2-yl)-1,3-thiazol-5-yl]-3-ethoxypropan-1-one.
What is the SMILES notation for 1-[2-amino-4-(furan-2-yl)-1,3-thiazol-5-yl]-3-ethoxypropan-1-one?
The canonical SMILES for 1-[2-amino-4-(furan-2-yl)-1,3-thiazol-5-yl]-3-ethoxypropan-1-one is CCOCCC(=O)c1sc(N)nc1-c1ccco1.
What is the InChIKey of 1-[2-amino-4-(furan-2-yl)-1,3-thiazol-5-yl]-3-ethoxypropan-1-one?
The InChIKey is XCSJXWMIKXLNQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S/c1-2-16-7-5-8(15)11-10(14-12(13)18-11)9-4-3-6-17-9/h3-4,6H,2,5,7H2,1H3,(H2,13,14).
What are the key properties of 1-[2-amino-4-(furan-2-yl)-1,3-thiazol-5-yl]-3-ethoxypropan-1-one?
1-[2-amino-4-(furan-2-yl)-1,3-thiazol-5-yl]-3-ethoxypropan-1-one has a molecular weight of 266.32 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-4-(furan-2-yl)-1,3-thiazol-5-yl]-3-ethoxypropan-1-one is sourced from PubChem (CID 86060932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).