(2-amino-1,3-thiazol-4-yl)methyl furan-2-carboxylate

C9H8N2O3S — CID 57379966

IUPAC(2-amino-1,3-thiazol-4-yl)methyl furan-2-carboxylate
SMILESNc1nc(COC(=O)c2ccco2)cs1
InChIInChI=1S/C9H8N2O3S/c10-9-11-6(5-15-9)4-14-8(12)7-2-1-3-13-7/h1-3,5H,4H2,(H2,10,11)
InChIKeyHECBKFYCDMNQAM-UHFFFAOYSA-N
MW224.24 g/mol
LogP1.68
Rot. Bonds3

About (2-amino-1,3-thiazol-4-yl)methyl furan-2-carboxylate

(2-amino-1,3-thiazol-4-yl)methyl furan-2-carboxylate (PubChem CID 57379966) has the molecular formula C9H8N2O3S and a molecular weight of 224.24 g/mol. Its IUPAC name is (2-amino-1,3-thiazol-4-yl)methyl furan-2-carboxylate.

Molecular Properties

Compound Name(2-amino-1,3-thiazol-4-yl)methyl furan-2-carboxylate
PubChem CID57379966
Molecular FormulaC9H8N2O3S
Molecular Weight224.24 g/mol
Exact Mass224.03
IUPAC Name(2-amino-1,3-thiazol-4-yl)methyl furan-2-carboxylate
SMILESNc1nc(COC(=O)c2ccco2)cs1
InChIInChI=1S/C9H8N2O3S/c10-9-11-6(5-15-9)4-14-8(12)7-2-1-3-13-7/h1-3,5H,4H2,(H2,10,11)
InChIKeyHECBKFYCDMNQAM-UHFFFAOYSA-N
XLogP1.68
TPSA78.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.24
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-amino-1,3-thiazol-4-yl)methyl furan-2-carboxylate?
The IUPAC name of (2-amino-1,3-thiazol-4-yl)methyl furan-2-carboxylate (CID 57379966) is (2-amino-1,3-thiazol-4-yl)methyl furan-2-carboxylate.
What is the SMILES notation for (2-amino-1,3-thiazol-4-yl)methyl furan-2-carboxylate?
The canonical SMILES for (2-amino-1,3-thiazol-4-yl)methyl furan-2-carboxylate is Nc1nc(COC(=O)c2ccco2)cs1.
What is the InChIKey of (2-amino-1,3-thiazol-4-yl)methyl furan-2-carboxylate?
The InChIKey is HECBKFYCDMNQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O3S/c10-9-11-6(5-15-9)4-14-8(12)7-2-1-3-13-7/h1-3,5H,4H2,(H2,10,11).
What are the key properties of (2-amino-1,3-thiazol-4-yl)methyl furan-2-carboxylate?
(2-amino-1,3-thiazol-4-yl)methyl furan-2-carboxylate has a molecular weight of 224.24 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-1,3-thiazol-4-yl)methyl furan-2-carboxylate is sourced from PubChem (CID 57379966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).