5-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-1,3-thiazol-2-amine

C14H16N2O2S — CID 79774006

IUPAC5-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-1,3-thiazol-2-amine
SMILESCC1(C)Cc2cccc(OCc3cnc(N)s3)c2O1
InChIInChI=1S/C14H16N2O2S/c1-14(2)6-9-4-3-5-11(12(9)18-14)17-8-10-7-16-13(15)19-10/h3-5,7H,6,8H2,1-2H3,(H2,15,16)
InChIKeyYUVJOGAURMBFMI-UHFFFAOYSA-N
MW276.36 g/mol
LogP3.02
Rot. Bonds3

About 5-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-1,3-thiazol-2-amine

5-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-1,3-thiazol-2-amine (PubChem CID 79774006) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 5-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-1,3-thiazol-2-amine
PubChem CID79774006
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name5-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-1,3-thiazol-2-amine
SMILESCC1(C)Cc2cccc(OCc3cnc(N)s3)c2O1
InChIInChI=1S/C14H16N2O2S/c1-14(2)6-9-4-3-5-11(12(9)18-14)17-8-10-7-16-13(15)19-10/h3-5,7H,6,8H2,1-2H3,(H2,15,16)
InChIKeyYUVJOGAURMBFMI-UHFFFAOYSA-N
XLogP3.02
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-1,3-thiazol-2-amine (CID 79774006) is 5-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-1,3-thiazol-2-amine is CC1(C)Cc2cccc(OCc3cnc(N)s3)c2O1.
What is the InChIKey of 5-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-1,3-thiazol-2-amine?
The InChIKey is YUVJOGAURMBFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-14(2)6-9-4-3-5-11(12(9)18-14)17-8-10-7-16-13(15)19-10/h3-5,7H,6,8H2,1-2H3,(H2,15,16).
What are the key properties of 5-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-1,3-thiazol-2-amine?
5-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-1,3-thiazol-2-amine has a molecular weight of 276.36 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 79774006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).