1-(1-benzofuran-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine

C14H14N2OS — CID 55172060

IUPAC1-(1-benzofuran-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
SMILESCc1ncsc1CNCc1cc2ccccc2o1
InChIInChI=1S/C14H14N2OS/c1-10-14(18-9-16-10)8-15-7-12-6-11-4-2-3-5-13(11)17-12/h2-6,9,15H,7-8H2,1H3
InChIKeyDYXUYMJSDGYWTR-UHFFFAOYSA-N
MW258.35 g/mol
LogP3.49
Rot. Bonds4

About 1-(1-benzofuran-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine

1-(1-benzofuran-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine (PubChem CID 55172060) has the molecular formula C14H14N2OS and a molecular weight of 258.35 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
PubChem CID55172060
Molecular FormulaC14H14N2OS
Molecular Weight258.35 g/mol
Exact Mass258.08
IUPAC Name1-(1-benzofuran-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
SMILESCc1ncsc1CNCc1cc2ccccc2o1
InChIInChI=1S/C14H14N2OS/c1-10-14(18-9-16-10)8-15-7-12-6-11-4-2-3-5-13(11)17-12/h2-6,9,15H,7-8H2,1H3
InChIKeyDYXUYMJSDGYWTR-UHFFFAOYSA-N
XLogP3.49
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 ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine?
The IUPAC name of 1-(1-benzofuran-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine (CID 55172060) is 1-(1-benzofuran-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine?
The canonical SMILES for 1-(1-benzofuran-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine is Cc1ncsc1CNCc1cc2ccccc2o1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine?
The InChIKey is DYXUYMJSDGYWTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2OS/c1-10-14(18-9-16-10)8-15-7-12-6-11-4-2-3-5-13(11)17-12/h2-6,9,15H,7-8H2,1H3.
What are the key properties of 1-(1-benzofuran-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine?
1-(1-benzofuran-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine has a molecular weight of 258.35 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine is sourced from PubChem (CID 55172060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).