N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-(2-methoxyphenyl)propan-2-amine

C17H24N2OS — CID 115726774

IUPACN-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-(2-methoxyphenyl)propan-2-amine
SMILESCCc1cnc(C(C)NC(C)Cc2ccccc2OC)s1
InChIInChI=1S/C17H24N2OS/c1-5-15-11-18-17(21-15)13(3)19-12(2)10-14-8-6-7-9-16(14)20-4/h6-9,11-13,19H,5,10H2,1-4H3
InChIKeyMDRKSCSIAKKVJZ-UHFFFAOYSA-N
MW304.46 g/mol
LogP4.00
Rot. Bonds7

About N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-(2-methoxyphenyl)propan-2-amine

N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-(2-methoxyphenyl)propan-2-amine (PubChem CID 115726774) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-(2-methoxyphenyl)propan-2-amine.

Molecular Properties

Compound NameN-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-(2-methoxyphenyl)propan-2-amine
PubChem CID115726774
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC NameN-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-(2-methoxyphenyl)propan-2-amine
SMILESCCc1cnc(C(C)NC(C)Cc2ccccc2OC)s1
InChIInChI=1S/C17H24N2OS/c1-5-15-11-18-17(21-15)13(3)19-12(2)10-14-8-6-7-9-16(14)20-4/h6-9,11-13,19H,5,10H2,1-4H3
InChIKeyMDRKSCSIAKKVJZ-UHFFFAOYSA-N
XLogP4.00
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-ethyl-1,3-thiazol-2-yl)-N-[(2-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 104792050
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-(2-methylphenyl)ethanamine
CID 112700001
1-(2-methoxyphenyl)-N-[1-(1,3-thiazol-5-yl)ethyl]propan-2-amine
CID 115710214
N-[1-(5-fluoro-2-pyridinyl)ethyl]-1-(2-methoxyphenyl)propan-2-amine
CID 83119379
1-(2-methoxyphenyl)-N-[1-(5-methylthiophen-2-yl)ethyl]propan-2-amine
CID 60936055
N-[1-(5-bromofuran-2-yl)ethyl]-1-(2-methoxyphenyl)propan-2-amine
CID 104652788
1-(2-methoxyphenyl)-N-(1-methylsulfanylpropan-2-yl)propan-2-amine
CID 115721693
N-[1-(2-methoxyphenyl)propan-2-yl]-2,6-dimethylheptan-4-amine
CID 63452997
4-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]pentan-1-ol
CID 115972512
1-(2-methoxyphenyl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]propan-2-amine
CID 119165092
N-[1-(4-bromothiophen-2-yl)ethyl]-1-(2-methoxyphenyl)propan-2-amine
CID 107354281
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-methylpentan-3-amine
CID 115726821

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-(2-methoxyphenyl)propan-2-amine?
The IUPAC name of N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-(2-methoxyphenyl)propan-2-amine (CID 115726774) is N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-(2-methoxyphenyl)propan-2-amine.
What is the SMILES notation for N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-(2-methoxyphenyl)propan-2-amine?
The canonical SMILES for N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-(2-methoxyphenyl)propan-2-amine is CCc1cnc(C(C)NC(C)Cc2ccccc2OC)s1.
What is the InChIKey of N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-(2-methoxyphenyl)propan-2-amine?
The InChIKey is MDRKSCSIAKKVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-5-15-11-18-17(21-15)13(3)19-12(2)10-14-8-6-7-9-16(14)20-4/h6-9,11-13,19H,5,10H2,1-4H3.
What are the key properties of N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-(2-methoxyphenyl)propan-2-amine?
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-(2-methoxyphenyl)propan-2-amine has a molecular weight of 304.46 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-(2-methoxyphenyl)propan-2-amine is sourced from PubChem (CID 115726774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).