N-methyl-1-(4-propoxyphenyl)-2-(1,3-thiazol-2-ylsulfanyl)ethanamine

C15H20N2OS2 — CID 64627300

IUPACN-methyl-1-(4-propoxyphenyl)-2-(1,3-thiazol-2-ylsulfanyl)ethanamine
SMILESCCCOc1ccc(C(CSc2nccs2)NC)cc1
InChIInChI=1S/C15H20N2OS2/c1-3-9-18-13-6-4-12(5-7-13)14(16-2)11-20-15-17-8-10-19-15/h4-8,10,14,16H,3,9,11H2,1-2H3
InChIKeyPIFLILARNZTLEM-UHFFFAOYSA-N
MW308.47 g/mol
LogP3.98
Rot. Bonds8

About N-methyl-1-(4-propoxyphenyl)-2-(1,3-thiazol-2-ylsulfanyl)ethanamine

N-methyl-1-(4-propoxyphenyl)-2-(1,3-thiazol-2-ylsulfanyl)ethanamine (PubChem CID 64627300) has the molecular formula C15H20N2OS2 and a molecular weight of 308.47 g/mol. Its IUPAC name is N-methyl-1-(4-propoxyphenyl)-2-(1,3-thiazol-2-ylsulfanyl)ethanamine.

Molecular Properties

Compound NameN-methyl-1-(4-propoxyphenyl)-2-(1,3-thiazol-2-ylsulfanyl)ethanamine
PubChem CID64627300
Molecular FormulaC15H20N2OS2
Molecular Weight308.47 g/mol
Exact Mass308.10
IUPAC NameN-methyl-1-(4-propoxyphenyl)-2-(1,3-thiazol-2-ylsulfanyl)ethanamine
SMILESCCCOc1ccc(C(CSc2nccs2)NC)cc1
InChIInChI=1S/C15H20N2OS2/c1-3-9-18-13-6-4-12(5-7-13)14(16-2)11-20-15-17-8-10-19-15/h4-8,10,14,16H,3,9,11H2,1-2H3
InChIKeyPIFLILARNZTLEM-UHFFFAOYSA-N
XLogP3.98
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}

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Related Compounds

N-methyl-1-(4-propoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamine
CID 64619656
2-butan-2-ylsulfanyl-N-methyl-1-(4-propoxyphenyl)ethanamine
CID 64613214
N-[1-(4-propan-2-ylphenyl)-2-(1,3-thiazol-2-ylsulfanyl)ethyl]propan-1-amine
CID 64626706
2-(2-methoxyethylsulfanyl)-N-methyl-1-(4-propoxyphenyl)ethanamine
CID 64613252
N-methyl-1-(1,3-thiazol-2-ylsulfanyl)pentan-2-amine
CID 64626307
N-methyl-1-(1,3-thiazol-2-ylsulfanyl)butan-2-amine
CID 64626494
N-methyl-1-[4-(4-propoxyphenyl)phenyl]propan-1-amine
CID 63425079
1-(4-ethoxyphenyl)-N-methyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine
CID 115384119
N,4-dimethyl-1-(4-propoxyphenyl)pentan-1-amine
CID 62795609
(4-propoxyphenyl)-(1,3-thiazol-2-yl)methanamine
CID 62496797
N-methyl-1-(4-propoxyphenyl)-3-pyridin-4-ylpropan-1-amine
CID 105144167
[1-(4-butoxyphenyl)-2-(1,3-thiazol-2-yl)ethyl]hydrazine
CID 105324666

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-propoxyphenyl)-2-(1,3-thiazol-2-ylsulfanyl)ethanamine?
The IUPAC name of N-methyl-1-(4-propoxyphenyl)-2-(1,3-thiazol-2-ylsulfanyl)ethanamine (CID 64627300) is N-methyl-1-(4-propoxyphenyl)-2-(1,3-thiazol-2-ylsulfanyl)ethanamine.
What is the SMILES notation for N-methyl-1-(4-propoxyphenyl)-2-(1,3-thiazol-2-ylsulfanyl)ethanamine?
The canonical SMILES for N-methyl-1-(4-propoxyphenyl)-2-(1,3-thiazol-2-ylsulfanyl)ethanamine is CCCOc1ccc(C(CSc2nccs2)NC)cc1.
What is the InChIKey of N-methyl-1-(4-propoxyphenyl)-2-(1,3-thiazol-2-ylsulfanyl)ethanamine?
The InChIKey is PIFLILARNZTLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS2/c1-3-9-18-13-6-4-12(5-7-13)14(16-2)11-20-15-17-8-10-19-15/h4-8,10,14,16H,3,9,11H2,1-2H3.
What are the key properties of N-methyl-1-(4-propoxyphenyl)-2-(1,3-thiazol-2-ylsulfanyl)ethanamine?
N-methyl-1-(4-propoxyphenyl)-2-(1,3-thiazol-2-ylsulfanyl)ethanamine has a molecular weight of 308.47 g/mol, XLogP of 3.98, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-propoxyphenyl)-2-(1,3-thiazol-2-ylsulfanyl)ethanamine is sourced from PubChem (CID 64627300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).