1-(3-methoxyphenyl)-N-propyl-3-(1,3-thiazol-2-yl)propan-2-amine

C16H22N2OS — CID 79824474

IUPAC1-(3-methoxyphenyl)-N-propyl-3-(1,3-thiazol-2-yl)propan-2-amine
SMILESCCCNC(Cc1cccc(OC)c1)Cc1nccs1
InChIInChI=1S/C16H22N2OS/c1-3-7-17-14(12-16-18-8-9-20-16)10-13-5-4-6-15(11-13)19-2/h4-6,8-9,11,14,17H,3,7,10,12H2,1-2H3
InChIKeyYMDAFAZSZVWGPO-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.31
Rot. Bonds8

About 1-(3-methoxyphenyl)-N-propyl-3-(1,3-thiazol-2-yl)propan-2-amine

1-(3-methoxyphenyl)-N-propyl-3-(1,3-thiazol-2-yl)propan-2-amine (PubChem CID 79824474) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-N-propyl-3-(1,3-thiazol-2-yl)propan-2-amine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-N-propyl-3-(1,3-thiazol-2-yl)propan-2-amine
PubChem CID79824474
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name1-(3-methoxyphenyl)-N-propyl-3-(1,3-thiazol-2-yl)propan-2-amine
SMILESCCCNC(Cc1cccc(OC)c1)Cc1nccs1
InChIInChI=1S/C16H22N2OS/c1-3-7-17-14(12-16-18-8-9-20-16)10-13-5-4-6-15(11-13)19-2/h4-6,8-9,11,14,17H,3,7,10,12H2,1-2H3
InChIKeyYMDAFAZSZVWGPO-UHFFFAOYSA-N
XLogP3.31
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chlorophenyl)-N-propyl-3-(1,3-thiazol-2-yl)propan-2-amine
CID 79823913
1-(3-methoxyphenyl)-3-methylsulfanyl-N-propylpropan-2-amine
CID 62693031
N-propyl-1-(1,3-thiazol-2-yl)-3-thiophen-3-ylpropan-2-amine
CID 105169161
N-[2-(3-methoxyphenyl)-1-pyrimidin-2-ylethyl]propan-1-amine
CID 62601372
N-[(3-methoxyphenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine
CID 61332776
1-(3-methoxyphenyl)-6-methyl-N-propylheptan-2-amine
CID 83162309
N-ethyl-1-(3-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethanamine
CID 79823576
1-(3-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxy]-N-propylpropan-2-amine
CID 105133867
1-(3-methoxyphenyl)-4-methylidene-N-propylhexan-2-amine
CID 66038028
1-(3-methoxyphenyl)-N-propyl-3-(thian-4-yl)propan-2-amine
CID 105133671
N-[1-(2-fluoro-4-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 81304178
N-[1-(2-bromo-5-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 105169193

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-N-propyl-3-(1,3-thiazol-2-yl)propan-2-amine?
The IUPAC name of 1-(3-methoxyphenyl)-N-propyl-3-(1,3-thiazol-2-yl)propan-2-amine (CID 79824474) is 1-(3-methoxyphenyl)-N-propyl-3-(1,3-thiazol-2-yl)propan-2-amine.
What is the SMILES notation for 1-(3-methoxyphenyl)-N-propyl-3-(1,3-thiazol-2-yl)propan-2-amine?
The canonical SMILES for 1-(3-methoxyphenyl)-N-propyl-3-(1,3-thiazol-2-yl)propan-2-amine is CCCNC(Cc1cccc(OC)c1)Cc1nccs1.
What is the InChIKey of 1-(3-methoxyphenyl)-N-propyl-3-(1,3-thiazol-2-yl)propan-2-amine?
The InChIKey is YMDAFAZSZVWGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-3-7-17-14(12-16-18-8-9-20-16)10-13-5-4-6-15(11-13)19-2/h4-6,8-9,11,14,17H,3,7,10,12H2,1-2H3.
What are the key properties of 1-(3-methoxyphenyl)-N-propyl-3-(1,3-thiazol-2-yl)propan-2-amine?
1-(3-methoxyphenyl)-N-propyl-3-(1,3-thiazol-2-yl)propan-2-amine has a molecular weight of 290.43 g/mol, XLogP of 3.31, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-N-propyl-3-(1,3-thiazol-2-yl)propan-2-amine is sourced from PubChem (CID 79824474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).