1-(7-chloro-1-benzofuran-2-yl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)methanamine

C15H16ClN3OS — CID 105187003

IUPAC1-(7-chloro-1-benzofuran-2-yl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)methanamine
SMILESCNC(c1cc2cccc(Cl)c2o1)c1snnc1C(C)C
InChIInChI=1S/C15H16ClN3OS/c1-8(2)12-15(21-19-18-12)13(17-3)11-7-9-5-4-6-10(16)14(9)20-11/h4-8,13,17H,1-3H3
InChIKeyIXVSUBACONXWAB-UHFFFAOYSA-N
MW321.83 g/mol
LogP4.37
Rot. Bonds4

About 1-(7-chloro-1-benzofuran-2-yl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)methanamine

1-(7-chloro-1-benzofuran-2-yl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)methanamine (PubChem CID 105187003) has the molecular formula C15H16ClN3OS and a molecular weight of 321.83 g/mol. Its IUPAC name is 1-(7-chloro-1-benzofuran-2-yl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)methanamine.

Molecular Properties

Compound Name1-(7-chloro-1-benzofuran-2-yl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)methanamine
PubChem CID105187003
Molecular FormulaC15H16ClN3OS
Molecular Weight321.83 g/mol
Exact Mass321.07
IUPAC Name1-(7-chloro-1-benzofuran-2-yl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)methanamine
SMILESCNC(c1cc2cccc(Cl)c2o1)c1snnc1C(C)C
InChIInChI=1S/C15H16ClN3OS/c1-8(2)12-15(21-19-18-12)13(17-3)11-7-9-5-4-6-10(16)14(9)20-11/h4-8,13,17H,1-3H3
InChIKeyIXVSUBACONXWAB-UHFFFAOYSA-N
XLogP4.37
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.83
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(7-chloro-1-benzofuran-2-yl)-1-(3-chlorothiophen-2-yl)-N-methylmethanamine
CID 105048424
N-methyl-1-(4-propan-2-ylphenyl)-1-(4-propan-2-ylthiadiazol-5-yl)methanamine
CID 105144852
1-(7-chloro-1-benzofuran-2-yl)-N-methyl-1-pyrimidin-5-ylmethanamine
CID 102923909
1-(7-chloro-1-benzofuran-2-yl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine
CID 114729070
1-(7-chloro-1-benzofuran-2-yl)-1-(4-fluorophenyl)-N-methylmethanamine
CID 114727533
1-(7-chloro-1-benzofuran-2-yl)-1-(4-methoxyphenyl)-N-methylmethanamine
CID 114727492
1-(4-ethylthiadiazol-5-yl)-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine
CID 105185488
N-[(7-chloro-1-benzofuran-2-yl)-(thiadiazol-4-yl)methyl]ethanamine
CID 105186991
1-(7-chloro-1-benzofuran-2-yl)-1-(2,5-dimethylphenyl)-N-methylmethanamine
CID 105048549
1-(7-chloro-1-benzofuran-2-yl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine
CID 105048530
1-(7-chloro-1-benzofuran-2-yl)-1-(2-chloro-3-fluorophenyl)-N-methylmethanamine
CID 105048406
1-(7-chloro-1-benzofuran-2-yl)-N-methyl-1-(2-methylfuran-3-yl)methanamine
CID 114730954

Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-1-benzofuran-2-yl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)methanamine?
The IUPAC name of 1-(7-chloro-1-benzofuran-2-yl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)methanamine (CID 105187003) is 1-(7-chloro-1-benzofuran-2-yl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)methanamine.
What is the SMILES notation for 1-(7-chloro-1-benzofuran-2-yl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)methanamine?
The canonical SMILES for 1-(7-chloro-1-benzofuran-2-yl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)methanamine is CNC(c1cc2cccc(Cl)c2o1)c1snnc1C(C)C.
What is the InChIKey of 1-(7-chloro-1-benzofuran-2-yl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)methanamine?
The InChIKey is IXVSUBACONXWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3OS/c1-8(2)12-15(21-19-18-12)13(17-3)11-7-9-5-4-6-10(16)14(9)20-11/h4-8,13,17H,1-3H3.
What are the key properties of 1-(7-chloro-1-benzofuran-2-yl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)methanamine?
1-(7-chloro-1-benzofuran-2-yl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)methanamine has a molecular weight of 321.83 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-1-benzofuran-2-yl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)methanamine is sourced from PubChem (CID 105187003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).