N-[1-(1-benzofuran-2-yl)ethyl]-3-(2-methoxyethyl)-N-methyl-1,2,4-thiadiazol-5-amine

C16H19N3O2S — CID 133335243

IUPACN-[1-(1-benzofuran-2-yl)ethyl]-3-(2-methoxyethyl)-N-methyl-1,2,4-thiadiazol-5-amine
SMILESCOCCc1nsc(N(C)C(C)c2cc3ccccc3o2)n1
InChIInChI=1S/C16H19N3O2S/c1-11(14-10-12-6-4-5-7-13(12)21-14)19(2)16-17-15(18-22-16)8-9-20-3/h4-7,10-11H,8-9H2,1-3H3
InChIKeyZXARZFWWFROMIZ-UHFFFAOYSA-N
MW317.41 g/mol
LogP3.67
Rot. Bonds6

About N-[1-(1-benzofuran-2-yl)ethyl]-3-(2-methoxyethyl)-N-methyl-1,2,4-thiadiazol-5-amine

N-[1-(1-benzofuran-2-yl)ethyl]-3-(2-methoxyethyl)-N-methyl-1,2,4-thiadiazol-5-amine (PubChem CID 133335243) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-[1-(1-benzofuran-2-yl)ethyl]-3-(2-methoxyethyl)-N-methyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[1-(1-benzofuran-2-yl)ethyl]-3-(2-methoxyethyl)-N-methyl-1,2,4-thiadiazol-5-amine
PubChem CID133335243
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC NameN-[1-(1-benzofuran-2-yl)ethyl]-3-(2-methoxyethyl)-N-methyl-1,2,4-thiadiazol-5-amine
SMILESCOCCc1nsc(N(C)C(C)c2cc3ccccc3o2)n1
InChIInChI=1S/C16H19N3O2S/c1-11(14-10-12-6-4-5-7-13(12)21-14)19(2)16-17-15(18-22-16)8-9-20-3/h4-7,10-11H,8-9H2,1-3H3
InChIKeyZXARZFWWFROMIZ-UHFFFAOYSA-N
XLogP3.67
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-(1-benzofuran-2-yl)ethyl]-3-[2-(2-methoxyethoxy)phenyl]-1-methylurea
CID 47493616
(1R)-1-(1-benzofuran-2-yl)ethanamine;hydrochloride
CID 75525569
1-(1-benzofuran-2-yl)-4-methoxy-N-methylbutan-1-amine
CID 115608859
1-(1-benzofuran-2-yl)-4-methoxy-3-methylbutan-1-amine
CID 105184765
N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-6-(trifluoromethyl)pyridazin-3-amine
CID 133433679
N-[1-(1-benzofuran-2-yl)ethyl]-2-methoxy-N-methylpropanamide
CID 115588204
N-[1-(1-benzofuran-2-yl)ethyl]-2-(2-methoxyethylamino)-N-propylacetamide;hydrochloride
CID 119750740
3-(2-methoxyethyl)-N-methyl-N-(1-pyridin-2-ylazetidin-3-yl)-1,2,4-thiadiazol-5-amine
CID 154583132
N-[1-(1-benzofuran-2-yl)ethyl]-2-(4-methoxyphenyl)-N-methylacetamide
CID 46551191
6-[1-(1-benzofuran-2-yl)ethyl-methylamino]pyridazine-3-carboxamide
CID 133350776
2-[1-(1-benzofuran-2-yl)ethyl-methylamino]-N-[[4-(2-methoxyethoxy)phenyl]methyl]acetamide
CID 87016044
N-[1-(3-chlorophenyl)ethyl]-3-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine
CID 133352584

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-3-(2-methoxyethyl)-N-methyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-3-(2-methoxyethyl)-N-methyl-1,2,4-thiadiazol-5-amine (CID 133335243) is N-[1-(1-benzofuran-2-yl)ethyl]-3-(2-methoxyethyl)-N-methyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[1-(1-benzofuran-2-yl)ethyl]-3-(2-methoxyethyl)-N-methyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[1-(1-benzofuran-2-yl)ethyl]-3-(2-methoxyethyl)-N-methyl-1,2,4-thiadiazol-5-amine is COCCc1nsc(N(C)C(C)c2cc3ccccc3o2)n1.
What is the InChIKey of N-[1-(1-benzofuran-2-yl)ethyl]-3-(2-methoxyethyl)-N-methyl-1,2,4-thiadiazol-5-amine?
The InChIKey is ZXARZFWWFROMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-11(14-10-12-6-4-5-7-13(12)21-14)19(2)16-17-15(18-22-16)8-9-20-3/h4-7,10-11H,8-9H2,1-3H3.
What are the key properties of N-[1-(1-benzofuran-2-yl)ethyl]-3-(2-methoxyethyl)-N-methyl-1,2,4-thiadiazol-5-amine?
N-[1-(1-benzofuran-2-yl)ethyl]-3-(2-methoxyethyl)-N-methyl-1,2,4-thiadiazol-5-amine has a molecular weight of 317.41 g/mol, XLogP of 3.67, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzofuran-2-yl)ethyl]-3-(2-methoxyethyl)-N-methyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 133335243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).