(1S)-N-ethyl-1-(3-methoxyphenyl)-N-(1,2,5-thiadiazol-3-ylmethyl)ethanamine

C14H19N3OS — CID 164632386

IUPAC(1S)-N-ethyl-1-(3-methoxyphenyl)-N-(1,2,5-thiadiazol-3-ylmethyl)ethanamine
SMILESCCN(Cc1cnsn1)[C@@H](C)c1cccc(OC)c1
InChIInChI=1S/C14H19N3OS/c1-4-17(10-13-9-15-19-16-13)11(2)12-6-5-7-14(8-12)18-3/h5-9,11H,4,10H2,1-3H3/t11-/m0/s1
InChIKeyGMWRTEXTBNQFOM-NSHDSACASA-N
MW277.39 g/mol
LogP3.13
Rot. Bonds6

About (1S)-N-ethyl-1-(3-methoxyphenyl)-N-(1,2,5-thiadiazol-3-ylmethyl)ethanamine

(1S)-N-ethyl-1-(3-methoxyphenyl)-N-(1,2,5-thiadiazol-3-ylmethyl)ethanamine (PubChem CID 164632386) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is (1S)-N-ethyl-1-(3-methoxyphenyl)-N-(1,2,5-thiadiazol-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name(1S)-N-ethyl-1-(3-methoxyphenyl)-N-(1,2,5-thiadiazol-3-ylmethyl)ethanamine
PubChem CID164632386
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name(1S)-N-ethyl-1-(3-methoxyphenyl)-N-(1,2,5-thiadiazol-3-ylmethyl)ethanamine
SMILESCCN(Cc1cnsn1)[C@@H](C)c1cccc(OC)c1
InChIInChI=1S/C14H19N3OS/c1-4-17(10-13-9-15-19-16-13)11(2)12-6-5-7-14(8-12)18-3/h5-9,11H,4,10H2,1-3H3/t11-/m0/s1
InChIKeyGMWRTEXTBNQFOM-NSHDSACASA-N
XLogP3.13
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3-Methoxyphenyl)methyl]-4-(2-phenylethyl)triazole
CID 56677060
5-Benzyl-1-[(3-methoxyphenyl)methyl]triazole
CID 57397324
1-[(3-Methoxyphenyl)methyl]-5-(2-phenylethyl)triazole
CID 57400719
4-Hexyl-1-[(3-methoxyphenyl)methyl]triazole
CID 60145050
4-Decyl-1-[(3-methoxyphenyl)methyl]triazole
CID 60145051
4-Dodecyl-1-[(3-methoxyphenyl)methyl]triazole
CID 60145052
3-(3-Dodecoxy-2-fluorophenyl)-1,2,5-thiadiazole
CID 118524237
1-[(2-Fluoro-3-methoxyphenyl)methyl]-4-methyltriazole
CID 173566307
1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(2H-triazol-4-yl)methanamine
CID 82810870
N-[(2-fluoro-3-methoxyphenyl)-(2H-triazol-4-yl)methyl]ethanamine
CID 82810871
N-[(2-fluoro-3-methoxyphenyl)-(2H-triazol-4-yl)methyl]propan-1-amine
CID 82810989
N-[(2-fluoro-4-methoxyphenyl)-(1,2,5-thiadiazol-3-yl)methyl]ethanamine
CID 103397304

Frequently Asked Questions

What is the IUPAC name of (1S)-N-ethyl-1-(3-methoxyphenyl)-N-(1,2,5-thiadiazol-3-ylmethyl)ethanamine?
The IUPAC name of (1S)-N-ethyl-1-(3-methoxyphenyl)-N-(1,2,5-thiadiazol-3-ylmethyl)ethanamine (CID 164632386) is (1S)-N-ethyl-1-(3-methoxyphenyl)-N-(1,2,5-thiadiazol-3-ylmethyl)ethanamine.
What is the SMILES notation for (1S)-N-ethyl-1-(3-methoxyphenyl)-N-(1,2,5-thiadiazol-3-ylmethyl)ethanamine?
The canonical SMILES for (1S)-N-ethyl-1-(3-methoxyphenyl)-N-(1,2,5-thiadiazol-3-ylmethyl)ethanamine is CCN(Cc1cnsn1)[C@@H](C)c1cccc(OC)c1.
What is the InChIKey of (1S)-N-ethyl-1-(3-methoxyphenyl)-N-(1,2,5-thiadiazol-3-ylmethyl)ethanamine?
The InChIKey is GMWRTEXTBNQFOM-NSHDSACASA-N. The full InChI is InChI=1S/C14H19N3OS/c1-4-17(10-13-9-15-19-16-13)11(2)12-6-5-7-14(8-12)18-3/h5-9,11H,4,10H2,1-3H3/t11-/m0/s1.
What are the key properties of (1S)-N-ethyl-1-(3-methoxyphenyl)-N-(1,2,5-thiadiazol-3-ylmethyl)ethanamine?
(1S)-N-ethyl-1-(3-methoxyphenyl)-N-(1,2,5-thiadiazol-3-ylmethyl)ethanamine has a molecular weight of 277.39 g/mol, XLogP of 3.13, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-ethyl-1-(3-methoxyphenyl)-N-(1,2,5-thiadiazol-3-ylmethyl)ethanamine is sourced from PubChem (CID 164632386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).