4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-amine

C12H12N2OS — CID 6497060

IUPAC4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-amine
SMILESCC1Cc2cc(-c3csc(N)n3)ccc2O1
InChIInChI=1S/C12H12N2OS/c1-7-4-9-5-8(2-3-11(9)15-7)10-6-16-12(13)14-10/h2-3,5-7H,4H2,1H3,(H2,13,14)
InChIKeyWEPCMOGXKOWFIS-UHFFFAOYSA-N
MW232.31 g/mol
LogP2.72
Rot. Bonds1

About 4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-amine

4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-amine (PubChem CID 6497060) has the molecular formula C12H12N2OS and a molecular weight of 232.31 g/mol. Its IUPAC name is 4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-amine
PubChem CID6497060
Molecular FormulaC12H12N2OS
Molecular Weight232.31 g/mol
Exact Mass232.07
IUPAC Name4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-amine
SMILESCC1Cc2cc(-c3csc(N)n3)ccc2O1
InChIInChI=1S/C12H12N2OS/c1-7-4-9-5-8(2-3-11(9)15-7)10-6-16-12(13)14-10/h2-3,5-7H,4H2,1H3,(H2,13,14)
InChIKeyWEPCMOGXKOWFIS-UHFFFAOYSA-N
XLogP2.72
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-amine (CID 6497060) is 4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-amine is CC1Cc2cc(-c3csc(N)n3)ccc2O1.
What is the InChIKey of 4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-amine?
The InChIKey is WEPCMOGXKOWFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2OS/c1-7-4-9-5-8(2-3-11(9)15-7)10-6-16-12(13)14-10/h2-3,5-7H,4H2,1H3,(H2,13,14).
What are the key properties of 4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-amine?
4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-amine has a molecular weight of 232.31 g/mol, XLogP of 2.72, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 6497060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).