[(2R)-7-(2,4-dimethyl-1,3-thiazol-5-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine

C14H16N2OS — CID 95211540

IUPAC[(2R)-7-(2,4-dimethyl-1,3-thiazol-5-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
SMILESCc1nc(C)c(-c2cccc3c2O[C@@H](CN)C3)s1
InChIInChI=1S/C14H16N2OS/c1-8-14(18-9(2)16-8)12-5-3-4-10-6-11(7-15)17-13(10)12/h3-5,11H,6-7,15H2,1-2H3/t11-/m1/s1
InChIKeyWRPJODUILLQEGR-LLVKDONJSA-N
MW260.36 g/mol
LogP2.69
Rot. Bonds2

About [(2R)-7-(2,4-dimethyl-1,3-thiazol-5-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine

[(2R)-7-(2,4-dimethyl-1,3-thiazol-5-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine (PubChem CID 95211540) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is [(2R)-7-(2,4-dimethyl-1,3-thiazol-5-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine.

Molecular Properties

Compound Name[(2R)-7-(2,4-dimethyl-1,3-thiazol-5-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
PubChem CID95211540
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name[(2R)-7-(2,4-dimethyl-1,3-thiazol-5-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
SMILESCc1nc(C)c(-c2cccc3c2O[C@@H](CN)C3)s1
InChIInChI=1S/C14H16N2OS/c1-8-14(18-9(2)16-8)12-5-3-4-10-6-11(7-15)17-13(10)12/h3-5,11H,6-7,15H2,1-2H3/t11-/m1/s1
InChIKeyWRPJODUILLQEGR-LLVKDONJSA-N
XLogP2.69
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2R)-7-(2,4-dimethyl-1,3-thiazol-5-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The IUPAC name of [(2R)-7-(2,4-dimethyl-1,3-thiazol-5-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine (CID 95211540) is [(2R)-7-(2,4-dimethyl-1,3-thiazol-5-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine.
What is the SMILES notation for [(2R)-7-(2,4-dimethyl-1,3-thiazol-5-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The canonical SMILES for [(2R)-7-(2,4-dimethyl-1,3-thiazol-5-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine is Cc1nc(C)c(-c2cccc3c2O[C@@H](CN)C3)s1.
What is the InChIKey of [(2R)-7-(2,4-dimethyl-1,3-thiazol-5-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The InChIKey is WRPJODUILLQEGR-LLVKDONJSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-8-14(18-9(2)16-8)12-5-3-4-10-6-11(7-15)17-13(10)12/h3-5,11H,6-7,15H2,1-2H3/t11-/m1/s1.
What are the key properties of [(2R)-7-(2,4-dimethyl-1,3-thiazol-5-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine?
[(2R)-7-(2,4-dimethyl-1,3-thiazol-5-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine has a molecular weight of 260.36 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-7-(2,4-dimethyl-1,3-thiazol-5-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine is sourced from PubChem (CID 95211540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).