N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(7-methoxy-1-benzofuran-2-yl)methanamine

C16H18N2O2S — CID 103701990

IUPACN-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(7-methoxy-1-benzofuran-2-yl)methanamine
SMILESCCc1cnc(CNCc2cc3cccc(OC)c3o2)s1
InChIInChI=1S/C16H18N2O2S/c1-3-13-9-18-15(21-13)10-17-8-12-7-11-5-4-6-14(19-2)16(11)20-12/h4-7,9,17H,3,8,10H2,1-2H3
InChIKeyIXWSZGHNZSFXDR-UHFFFAOYSA-N
MW302.40 g/mol
LogP3.75
Rot. Bonds6

About N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(7-methoxy-1-benzofuran-2-yl)methanamine

N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(7-methoxy-1-benzofuran-2-yl)methanamine (PubChem CID 103701990) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(7-methoxy-1-benzofuran-2-yl)methanamine.

Molecular Properties

Compound NameN-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(7-methoxy-1-benzofuran-2-yl)methanamine
PubChem CID103701990
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC NameN-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(7-methoxy-1-benzofuran-2-yl)methanamine
SMILESCCc1cnc(CNCc2cc3cccc(OC)c3o2)s1
InChIInChI=1S/C16H18N2O2S/c1-3-13-9-18-15(21-13)10-17-8-12-7-11-5-4-6-14(19-2)16(11)20-12/h4-7,9,17H,3,8,10H2,1-2H3
InChIKeyIXWSZGHNZSFXDR-UHFFFAOYSA-N
XLogP3.75
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(7-methoxy-1-benzofuran-2-yl)methanamine with MolForge

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Related Compounds

1-(7-methoxy-1-benzofuran-2-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
CID 63305695
methyl 2-[(7-methoxy-1-benzofuran-2-yl)methylamino]acetate
CID 43756848
1-cyclopentyl-N-[(7-methoxy-1-benzofuran-2-yl)methyl]methanamine
CID 43432532
N'-[(7-methoxy-1-benzofuran-2-yl)methyl]ethane-1,2-diamine
CID 19886076
1-(7-methoxy-1-benzofuran-2-yl)-N-[(4-methyl-3-pyridinyl)methyl]methanamine
CID 114954888
2-butoxy-N-[(7-methoxy-1-benzofuran-2-yl)methyl]ethanamine
CID 61169329
N-methoxy-1-(7-methoxy-1-benzofuran-2-yl)methanamine
CID 82707164
N-[(7-ethoxy-1-benzofuran-2-yl)methyl]ethanamine
CID 65440347
1-[(7-methoxy-1-benzofuran-2-yl)methylamino]pentan-2-ol
CID 115623289
1-(2-ethyl-1,3-thiazol-5-yl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]methanamine
CID 103741081
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(7-methoxy-1-benzofuran-2-yl)methanamine
CID 115767795
N-[(7-methoxy-1-benzofuran-2-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 106396540

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(7-methoxy-1-benzofuran-2-yl)methanamine?
The IUPAC name of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(7-methoxy-1-benzofuran-2-yl)methanamine (CID 103701990) is N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(7-methoxy-1-benzofuran-2-yl)methanamine.
What is the SMILES notation for N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(7-methoxy-1-benzofuran-2-yl)methanamine?
The canonical SMILES for N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(7-methoxy-1-benzofuran-2-yl)methanamine is CCc1cnc(CNCc2cc3cccc(OC)c3o2)s1.
What is the InChIKey of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(7-methoxy-1-benzofuran-2-yl)methanamine?
The InChIKey is IXWSZGHNZSFXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-3-13-9-18-15(21-13)10-17-8-12-7-11-5-4-6-14(19-2)16(11)20-12/h4-7,9,17H,3,8,10H2,1-2H3.
What are the key properties of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(7-methoxy-1-benzofuran-2-yl)methanamine?
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(7-methoxy-1-benzofuran-2-yl)methanamine has a molecular weight of 302.40 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(7-methoxy-1-benzofuran-2-yl)methanamine is sourced from PubChem (CID 103701990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).