1-(1-benzothiophen-3-yl)-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methylmethanamine

C16H20N4OS — CID 131902585

IUPAC1-(1-benzothiophen-3-yl)-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methylmethanamine
SMILESCOCCn1cnnc1CN(C)Cc1csc2ccccc12
InChIInChI=1S/C16H20N4OS/c1-19(10-16-18-17-12-20(16)7-8-21-2)9-13-11-22-15-6-4-3-5-14(13)15/h3-6,11-12H,7-10H2,1-2H3
InChIKeyLXERGQYMGJWOAB-UHFFFAOYSA-N
MW316.43 g/mol
LogP2.77
Rot. Bonds7

About 1-(1-benzothiophen-3-yl)-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methylmethanamine

1-(1-benzothiophen-3-yl)-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methylmethanamine (PubChem CID 131902585) has the molecular formula C16H20N4OS and a molecular weight of 316.43 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-yl)-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-(1-benzothiophen-3-yl)-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methylmethanamine
PubChem CID131902585
Molecular FormulaC16H20N4OS
Molecular Weight316.43 g/mol
Exact Mass316.14
IUPAC Name1-(1-benzothiophen-3-yl)-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methylmethanamine
SMILESCOCCn1cnnc1CN(C)Cc1csc2ccccc12
InChIInChI=1S/C16H20N4OS/c1-19(10-16-18-17-12-20(16)7-8-21-2)9-13-11-22-15-6-4-3-5-14(13)15/h3-6,11-12H,7-10H2,1-2H3
InChIKeyLXERGQYMGJWOAB-UHFFFAOYSA-N
XLogP2.77
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(1-benzothiophen-3-yl)-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methylmethanamine with MolForge

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Related Compounds

N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methyl-1-(3-methylsulfanylphenyl)methanamine
CID 74243618
N-(1-benzothiophen-3-ylmethyl)-3-methoxy-N,2-dimethylpropan-1-amine
CID 126804186
[1-benzothiophen-3-ylmethyl(methyl)amino]methanol
CID 115229231
2-[[1-benzothiophen-3-ylmethyl(methyl)amino]methyl]aniline
CID 63737039
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methylpropanamide
CID 135114299
5-tert-butyl-4-[[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl-methylamino]methyl]furan-2-carboxamide
CID 134706763
3-ethyl-4-(2-methoxyethyl)-1,2,4-triazole
CID 115393588
4-[[1-benzothiophen-3-ylmethyl(methyl)amino]methyl]aniline
CID 63737038
N-(1-benzothiophen-3-ylmethyl)-2,2,2-trifluoro-N-methylethanamine
CID 115257994
methyl 4-[[1-benzothiophen-3-ylmethyl(methyl)amino]methyl]benzoate
CID 55703451
4-(2-methoxyethyl)-3-propyl-1,2,4-triazole
CID 115393557
1-(1-benzothiophen-3-yl)-N-methyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]methanamine
CID 60500829

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-yl)-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methylmethanamine?
The IUPAC name of 1-(1-benzothiophen-3-yl)-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methylmethanamine (CID 131902585) is 1-(1-benzothiophen-3-yl)-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methylmethanamine.
What is the SMILES notation for 1-(1-benzothiophen-3-yl)-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methylmethanamine?
The canonical SMILES for 1-(1-benzothiophen-3-yl)-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methylmethanamine is COCCn1cnnc1CN(C)Cc1csc2ccccc12.
What is the InChIKey of 1-(1-benzothiophen-3-yl)-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methylmethanamine?
The InChIKey is LXERGQYMGJWOAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4OS/c1-19(10-16-18-17-12-20(16)7-8-21-2)9-13-11-22-15-6-4-3-5-14(13)15/h3-6,11-12H,7-10H2,1-2H3.
What are the key properties of 1-(1-benzothiophen-3-yl)-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methylmethanamine?
1-(1-benzothiophen-3-yl)-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methylmethanamine has a molecular weight of 316.43 g/mol, XLogP of 2.77, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-3-yl)-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methylmethanamine is sourced from PubChem (CID 131902585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).