1-(1-benzofuran-2-yl)-N-methyl-1-(thiadiazol-4-yl)methanamine

C12H11N3OS — CID 105184747

IUPAC1-(1-benzofuran-2-yl)-N-methyl-1-(thiadiazol-4-yl)methanamine
SMILESCNC(c1csnn1)c1cc2ccccc2o1
InChIInChI=1S/C12H11N3OS/c1-13-12(9-7-17-15-14-9)11-6-8-4-2-3-5-10(8)16-11/h2-7,12-13H,1H3
InChIKeyDXVCGNSUOZOLJS-UHFFFAOYSA-N
MW245.31 g/mol
LogP2.59
Rot. Bonds3

About 1-(1-benzofuran-2-yl)-N-methyl-1-(thiadiazol-4-yl)methanamine

1-(1-benzofuran-2-yl)-N-methyl-1-(thiadiazol-4-yl)methanamine (PubChem CID 105184747) has the molecular formula C12H11N3OS and a molecular weight of 245.31 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-N-methyl-1-(thiadiazol-4-yl)methanamine.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-N-methyl-1-(thiadiazol-4-yl)methanamine
PubChem CID105184747
Molecular FormulaC12H11N3OS
Molecular Weight245.31 g/mol
Exact Mass245.06
IUPAC Name1-(1-benzofuran-2-yl)-N-methyl-1-(thiadiazol-4-yl)methanamine
SMILESCNC(c1csnn1)c1cc2ccccc2o1
InChIInChI=1S/C12H11N3OS/c1-13-12(9-7-17-15-14-9)11-6-8-4-2-3-5-10(8)16-11/h2-7,12-13H,1H3
InChIKeyDXVCGNSUOZOLJS-UHFFFAOYSA-N
XLogP2.59
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.31
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-N-methyl-1-(thiadiazol-4-yl)methanamine?
The IUPAC name of 1-(1-benzofuran-2-yl)-N-methyl-1-(thiadiazol-4-yl)methanamine (CID 105184747) is 1-(1-benzofuran-2-yl)-N-methyl-1-(thiadiazol-4-yl)methanamine.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-N-methyl-1-(thiadiazol-4-yl)methanamine?
The canonical SMILES for 1-(1-benzofuran-2-yl)-N-methyl-1-(thiadiazol-4-yl)methanamine is CNC(c1csnn1)c1cc2ccccc2o1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-N-methyl-1-(thiadiazol-4-yl)methanamine?
The InChIKey is DXVCGNSUOZOLJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3OS/c1-13-12(9-7-17-15-14-9)11-6-8-4-2-3-5-10(8)16-11/h2-7,12-13H,1H3.
What are the key properties of 1-(1-benzofuran-2-yl)-N-methyl-1-(thiadiazol-4-yl)methanamine?
1-(1-benzofuran-2-yl)-N-methyl-1-(thiadiazol-4-yl)methanamine has a molecular weight of 245.31 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-N-methyl-1-(thiadiazol-4-yl)methanamine is sourced from PubChem (CID 105184747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).