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

C16H18N2O2S — CID 114366260

IUPACN-[[2-(1-benzofuran-2-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(-c2cc3ccccc3o2)nc1COC
InChIInChI=1S/C16H18N2O2S/c1-3-17-9-15-12(10-19-2)18-16(21-15)14-8-11-6-4-5-7-13(11)20-14/h4-8,17H,3,9-10H2,1-2H3
InChIKeyJMZNQCMBPFFXGY-UHFFFAOYSA-N
MW302.40 g/mol
LogP3.81
Rot. Bonds6

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

N-[[2-(1-benzofuran-2-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 114366260) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is N-[[2-(1-benzofuran-2-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(1-benzofuran-2-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID114366260
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC NameN-[[2-(1-benzofuran-2-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(-c2cc3ccccc3o2)nc1COC
InChIInChI=1S/C16H18N2O2S/c1-3-17-9-15-12(10-19-2)18-16(21-15)14-8-11-6-4-5-7-13(11)20-14/h4-8,17H,3,9-10H2,1-2H3
InChIKeyJMZNQCMBPFFXGY-UHFFFAOYSA-N
XLogP3.81
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 ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(4-fluorophenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114366189
N-[[4-(methoxymethyl)-2-(4-methyl-2-pyridinyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114366269
N-[[2-(3-chloro-2-fluorophenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114366130
N-[[4-(methoxymethyl)-2-[(2-methylphenyl)methyl]-1,3-thiazol-5-yl]methyl]ethanamine
CID 114366259
5-(ethylaminomethyl)-4-(methoxymethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazol-2-amine
CID 107509768
5-(1-benzofuran-2-yl)-N-ethyl-1,3,4-thiadiazol-2-amine
CID 114734476
methyl 5-acetyl-2-(1-benzofuran-2-yl)-1,3-thiazole-4-carboxylate
CID 106696043
methyl 2-(1-benzofuran-2-yl)-1,3-thiazole-5-carboxylate
CID 80572975
N-[[2-[(2-fluorophenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 82440531
N-[[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
CID 63090592
methyl 5-amino-2-(1-benzofuran-2-yl)-1,3-thiazole-4-carboxylate
CID 103199790
N-[[2-[(2-fluorophenyl)sulfanylmethyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114366141

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-benzofuran-2-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(1-benzofuran-2-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine (CID 114366260) is N-[[2-(1-benzofuran-2-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(1-benzofuran-2-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(1-benzofuran-2-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine is CCNCc1sc(-c2cc3ccccc3o2)nc1COC.
What is the InChIKey of N-[[2-(1-benzofuran-2-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is JMZNQCMBPFFXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-3-17-9-15-12(10-19-2)18-16(21-15)14-8-11-6-4-5-7-13(11)20-14/h4-8,17H,3,9-10H2,1-2H3.
What are the key properties of N-[[2-(1-benzofuran-2-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
N-[[2-(1-benzofuran-2-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 302.40 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-benzofuran-2-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 114366260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).