N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-(2-methoxyethyl)-N-methyl-1,2,4-thiadiazol-5-amine

C15H19N3O2S — CID 171328514

IUPACN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-(2-methoxyethyl)-N-methyl-1,2,4-thiadiazol-5-amine
SMILESCOCCc1nsc(N(C)Cc2ccc3c(c2)CCO3)n1
InChIInChI=1S/C15H19N3O2S/c1-18(15-16-14(17-21-15)6-7-19-2)10-11-3-4-13-12(9-11)5-8-20-13/h3-4,9H,5-8,10H2,1-2H3
InChIKeyYFMFGIIZSJXYFG-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.30
Rot. Bonds6

About N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-(2-methoxyethyl)-N-methyl-1,2,4-thiadiazol-5-amine

N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-(2-methoxyethyl)-N-methyl-1,2,4-thiadiazol-5-amine (PubChem CID 171328514) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-(2-methoxyethyl)-N-methyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-(2-methoxyethyl)-N-methyl-1,2,4-thiadiazol-5-amine
PubChem CID171328514
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC NameN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-(2-methoxyethyl)-N-methyl-1,2,4-thiadiazol-5-amine
SMILESCOCCc1nsc(N(C)Cc2ccc3c(c2)CCO3)n1
InChIInChI=1S/C15H19N3O2S/c1-18(15-16-14(17-21-15)6-7-19-2)10-11-3-4-13-12(9-11)5-8-20-13/h3-4,9H,5-8,10H2,1-2H3
InChIKeyYFMFGIIZSJXYFG-UHFFFAOYSA-N
XLogP2.30
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-(2-methoxyethyl)-N-methyl-1,2,4-thiadiazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(5-bromothiophen-2-yl)methyl]-3-(2-methoxyethyl)-N-methyl-1,2,4-thiadiazol-5-amine
CID 133358291
1-(2,3-dihydro-1-benzofuran-5-yl)-5-methoxy-N-methylpentan-3-amine
CID 65445330
[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]methanol
CID 115229208
5-chloro-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methylpyrimidin-2-amine
CID 171328577
2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl-(2-methoxyethyl)amino]ethanol
CID 115665475
N-(1,3-benzodioxol-5-ylmethyl)-3-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine
CID 133352016
1-(2,3-dihydro-1-benzofuran-5-yl)-5-(2-methoxyethoxy)pentan-3-ol
CID 102927687
2-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-N,3-dimethylpyridine-2,5-diamine
CID 115147996
3-[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]propan-1-ol
CID 115216972
2-(3,4-dihydro-2H-chromen-6-yl)-N-(methoxymethyl)-N-methylethanamine
CID 115259053
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methylquinazolin-4-amine
CID 171329075
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-2-methylpropan-2-amine
CID 65444502

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-(2-methoxyethyl)-N-methyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-(2-methoxyethyl)-N-methyl-1,2,4-thiadiazol-5-amine (CID 171328514) is N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-(2-methoxyethyl)-N-methyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-(2-methoxyethyl)-N-methyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-(2-methoxyethyl)-N-methyl-1,2,4-thiadiazol-5-amine is COCCc1nsc(N(C)Cc2ccc3c(c2)CCO3)n1.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-(2-methoxyethyl)-N-methyl-1,2,4-thiadiazol-5-amine?
The InChIKey is YFMFGIIZSJXYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-18(15-16-14(17-21-15)6-7-19-2)10-11-3-4-13-12(9-11)5-8-20-13/h3-4,9H,5-8,10H2,1-2H3.
What are the key properties of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-(2-methoxyethyl)-N-methyl-1,2,4-thiadiazol-5-amine?
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-(2-methoxyethyl)-N-methyl-1,2,4-thiadiazol-5-amine has a molecular weight of 305.40 g/mol, XLogP of 2.30, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-(2-methoxyethyl)-N-methyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 171328514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).