1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine

C16H20N2OS — CID 63270765

IUPAC1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine
SMILESCc1ncc(CNCc2ccc3c(c2)CC(C)(C)O3)s1
InChIInChI=1S/C16H20N2OS/c1-11-18-10-14(20-11)9-17-8-12-4-5-15-13(6-12)7-16(2,3)19-15/h4-6,10,17H,7-9H2,1-3H3
InChIKeyKEGKAUZJIUWUSN-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.45
Rot. Bonds4

About 1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine

1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine (PubChem CID 63270765) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine
PubChem CID63270765
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine
SMILESCc1ncc(CNCc2ccc3c(c2)CC(C)(C)O3)s1
InChIInChI=1S/C16H20N2OS/c1-11-18-10-14(20-11)9-17-8-12-4-5-15-13(6-12)7-16(2,3)19-15/h4-6,10,17H,7-9H2,1-3H3
InChIKeyKEGKAUZJIUWUSN-UHFFFAOYSA-N
XLogP3.45
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine?
The IUPAC name of 1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine (CID 63270765) is 1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine.
What is the SMILES notation for 1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine?
The canonical SMILES for 1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine is Cc1ncc(CNCc2ccc3c(c2)CC(C)(C)O3)s1.
What is the InChIKey of 1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine?
The InChIKey is KEGKAUZJIUWUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-11-18-10-14(20-11)9-17-8-12-4-5-15-13(6-12)7-16(2,3)19-15/h4-6,10,17H,7-9H2,1-3H3.
What are the key properties of 1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine?
1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine has a molecular weight of 288.42 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine is sourced from PubChem (CID 63270765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).