2-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-N-methylethanamine

C14H14N2OS — CID 62543895

IUPAC2-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-N-methylethanamine
SMILESCNCCc1nc(-c2cc3ccccc3o2)cs1
InChIInChI=1S/C14H14N2OS/c1-15-7-6-14-16-11(9-18-14)13-8-10-4-2-3-5-12(10)17-13/h2-5,8-9,15H,6-7H2,1H3
InChIKeyQCVIABQZAZJFAR-UHFFFAOYSA-N
MW258.35 g/mol
LogP3.32
Rot. Bonds4

About 2-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-N-methylethanamine

2-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-N-methylethanamine (PubChem CID 62543895) has the molecular formula C14H14N2OS and a molecular weight of 258.35 g/mol. Its IUPAC name is 2-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-N-methylethanamine
PubChem CID62543895
Molecular FormulaC14H14N2OS
Molecular Weight258.35 g/mol
Exact Mass258.08
IUPAC Name2-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-N-methylethanamine
SMILESCNCCc1nc(-c2cc3ccccc3o2)cs1
InChIInChI=1S/C14H14N2OS/c1-15-7-6-14-16-11(9-18-14)13-8-10-4-2-3-5-12(10)17-13/h2-5,8-9,15H,6-7H2,1H3
InChIKeyQCVIABQZAZJFAR-UHFFFAOYSA-N
XLogP3.32
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-N-methylethanamine?
The IUPAC name of 2-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-N-methylethanamine (CID 62543895) is 2-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-N-methylethanamine.
What is the SMILES notation for 2-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-N-methylethanamine?
The canonical SMILES for 2-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-N-methylethanamine is CNCCc1nc(-c2cc3ccccc3o2)cs1.
What is the InChIKey of 2-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-N-methylethanamine?
The InChIKey is QCVIABQZAZJFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2OS/c1-15-7-6-14-16-11(9-18-14)13-8-10-4-2-3-5-12(10)17-13/h2-5,8-9,15H,6-7H2,1H3.
What are the key properties of 2-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-N-methylethanamine?
2-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-N-methylethanamine has a molecular weight of 258.35 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-N-methylethanamine is sourced from PubChem (CID 62543895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).