2-(4-chlorophenyl)-N-(2-methoxyethyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-1-amine

C16H21ClN2OS — CID 79433561

IUPAC2-(4-chlorophenyl)-N-(2-methoxyethyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-1-amine
SMILESCOCCNCC(Cc1csc(C)n1)c1ccc(Cl)cc1
InChIInChI=1S/C16H21ClN2OS/c1-12-19-16(11-21-12)9-14(10-18-7-8-20-2)13-3-5-15(17)6-4-13/h3-6,11,14,18H,7-10H2,1-2H3
InChIKeyOPIVYTVDVKPGHV-UHFFFAOYSA-N
MW324.88 g/mol
LogP3.67
Rot. Bonds8

About 2-(4-chlorophenyl)-N-(2-methoxyethyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-1-amine

2-(4-chlorophenyl)-N-(2-methoxyethyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-1-amine (PubChem CID 79433561) has the molecular formula C16H21ClN2OS and a molecular weight of 324.88 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(2-methoxyethyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(2-methoxyethyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-1-amine
PubChem CID79433561
Molecular FormulaC16H21ClN2OS
Molecular Weight324.88 g/mol
Exact Mass324.11
IUPAC Name2-(4-chlorophenyl)-N-(2-methoxyethyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-1-amine
SMILESCOCCNCC(Cc1csc(C)n1)c1ccc(Cl)cc1
InChIInChI=1S/C16H21ClN2OS/c1-12-19-16(11-21-12)9-14(10-18-7-8-20-2)13-3-5-15(17)6-4-13/h3-6,11,14,18H,7-10H2,1-2H3
InChIKeyOPIVYTVDVKPGHV-UHFFFAOYSA-N
XLogP3.67
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.88
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-bromophenyl)-N-ethyl-3-(2-methyl-1,3-thiazol-4-yl)propan-1-amine
CID 79442011
2-(4-chlorophenyl)-N-(2-methoxyethyl)-4-methylsulfanylbutan-1-amine
CID 113474262
1-(4-chlorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 62799150
2-(4-chlorophenyl)-N-(2-methoxyethyl)-6-methylheptan-1-amine
CID 83169176
2-(4-chlorophenyl)-N-(2-methoxyethyl)-4-thiophen-3-ylbutan-1-amine
CID 79433559
3-(5-chlorothiophen-2-yl)-N-(2-methoxyethyl)-2-(4-methylphenyl)propan-1-amine
CID 79430687
2-(4-fluorophenyl)-N-(2-methoxyethyl)-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine
CID 79433340
2-(4-chlorophenyl)-4-methoxy-N-methylbutan-1-amine
CID 79441568
N-(2-methoxyethyl)-2-(4-methylphenyl)-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine
CID 79430683
2-(3-bromophenyl)-3-(2-methyl-1,3-thiazol-4-yl)-N-propylpropan-1-amine
CID 79443123
2-(4-methylphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-1-ol
CID 79437210
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 110885409

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(2-methoxyethyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-1-amine?
The IUPAC name of 2-(4-chlorophenyl)-N-(2-methoxyethyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-1-amine (CID 79433561) is 2-(4-chlorophenyl)-N-(2-methoxyethyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-1-amine.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(2-methoxyethyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-1-amine?
The canonical SMILES for 2-(4-chlorophenyl)-N-(2-methoxyethyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-1-amine is COCCNCC(Cc1csc(C)n1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-(2-methoxyethyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-1-amine?
The InChIKey is OPIVYTVDVKPGHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2OS/c1-12-19-16(11-21-12)9-14(10-18-7-8-20-2)13-3-5-15(17)6-4-13/h3-6,11,14,18H,7-10H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-N-(2-methoxyethyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-1-amine?
2-(4-chlorophenyl)-N-(2-methoxyethyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-1-amine has a molecular weight of 324.88 g/mol, XLogP of 3.67, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(2-methoxyethyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-1-amine is sourced from PubChem (CID 79433561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).