2-(2,5-dimethylfuran-3-yl)-1-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol

C14H20N2O2S — CID 111467697

IUPAC2-(2,5-dimethylfuran-3-yl)-1-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol
SMILESCc1csc(CNCC(C)(O)c2cc(C)oc2C)n1
InChIInChI=1S/C14H20N2O2S/c1-9-7-19-13(16-9)6-15-8-14(4,17)12-5-10(2)18-11(12)3/h5,7,15,17H,6,8H2,1-4H3
InChIKeyICVAWFUSAUZIHX-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.66
Rot. Bonds5

About 2-(2,5-dimethylfuran-3-yl)-1-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol

2-(2,5-dimethylfuran-3-yl)-1-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol (PubChem CID 111467697) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is 2-(2,5-dimethylfuran-3-yl)-1-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol.

Molecular Properties

Compound Name2-(2,5-dimethylfuran-3-yl)-1-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol
PubChem CID111467697
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name2-(2,5-dimethylfuran-3-yl)-1-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol
SMILESCc1csc(CNCC(C)(O)c2cc(C)oc2C)n1
InChIInChI=1S/C14H20N2O2S/c1-9-7-19-13(16-9)6-15-8-14(4,17)12-5-10(2)18-11(12)3/h5,7,15,17H,6,8H2,1-4H3
InChIKeyICVAWFUSAUZIHX-UHFFFAOYSA-N
XLogP2.66
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylfuran-3-yl)-1-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol?
The IUPAC name of 2-(2,5-dimethylfuran-3-yl)-1-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol (CID 111467697) is 2-(2,5-dimethylfuran-3-yl)-1-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol.
What is the SMILES notation for 2-(2,5-dimethylfuran-3-yl)-1-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol?
The canonical SMILES for 2-(2,5-dimethylfuran-3-yl)-1-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol is Cc1csc(CNCC(C)(O)c2cc(C)oc2C)n1.
What is the InChIKey of 2-(2,5-dimethylfuran-3-yl)-1-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol?
The InChIKey is ICVAWFUSAUZIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-9-7-19-13(16-9)6-15-8-14(4,17)12-5-10(2)18-11(12)3/h5,7,15,17H,6,8H2,1-4H3.
What are the key properties of 2-(2,5-dimethylfuran-3-yl)-1-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol?
2-(2,5-dimethylfuran-3-yl)-1-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol has a molecular weight of 280.39 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylfuran-3-yl)-1-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol is sourced from PubChem (CID 111467697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).