N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-(4-propoxyphenyl)ethanamine

C17H24N2OS — CID 115726990

IUPACN-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-(4-propoxyphenyl)ethanamine
SMILESCCCOc1ccc(C(C)NC(C)c2ncc(C)s2)cc1
InChIInChI=1S/C17H24N2OS/c1-5-10-20-16-8-6-15(7-9-16)13(3)19-14(4)17-18-11-12(2)21-17/h6-9,11,13-14,19H,5,10H2,1-4H3
InChIKeyOVLXNSHKRAWCQC-UHFFFAOYSA-N
MW304.46 g/mol
LogP4.65
Rot. Bonds7

About N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-(4-propoxyphenyl)ethanamine

N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-(4-propoxyphenyl)ethanamine (PubChem CID 115726990) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-(4-propoxyphenyl)ethanamine.

Molecular Properties

Compound NameN-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-(4-propoxyphenyl)ethanamine
PubChem CID115726990
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC NameN-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-(4-propoxyphenyl)ethanamine
SMILESCCCOc1ccc(C(C)NC(C)c2ncc(C)s2)cc1
InChIInChI=1S/C17H24N2OS/c1-5-10-20-16-8-6-15(7-9-16)13(3)19-14(4)17-18-11-12(2)21-17/h6-9,11,13-14,19H,5,10H2,1-4H3
InChIKeyOVLXNSHKRAWCQC-UHFFFAOYSA-N
XLogP4.65
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 ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxyphenyl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]ethanamine
CID 115726969
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-(4-propoxyphenyl)ethanamine
CID 103893640
1-cyclopropyl-N-[1-(4-propoxyphenyl)ethyl]ethanamine
CID 43533265
1-(2-ethoxyphenyl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]ethanamine
CID 115726973
N-[1-(4-propoxyphenyl)ethyl]hexan-2-amine
CID 63476745
N-[(1R)-1-(furan-2-yl)ethyl]-1-(4-propoxyphenyl)ethanamine
CID 81403664
1-(4-methoxyphenyl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]propan-2-amine
CID 115726880
(2S)-2-[1-(4-propoxyphenyl)ethylamino]butan-1-ol
CID 104980899
1-(1-hydroperoxyethyl)-4-propoxybenzene
CID 11241018
1-ethylsulfonyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]propan-2-amine
CID 115901209
N-[(5-methylpyrazin-2-yl)methyl]-1-(4-propoxyphenyl)ethanamine
CID 62845690
2-[4-[1-(5-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]phenoxy]acetic acid
CID 146107303

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-(4-propoxyphenyl)ethanamine?
The IUPAC name of N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-(4-propoxyphenyl)ethanamine (CID 115726990) is N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-(4-propoxyphenyl)ethanamine.
What is the SMILES notation for N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-(4-propoxyphenyl)ethanamine?
The canonical SMILES for N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-(4-propoxyphenyl)ethanamine is CCCOc1ccc(C(C)NC(C)c2ncc(C)s2)cc1.
What is the InChIKey of N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-(4-propoxyphenyl)ethanamine?
The InChIKey is OVLXNSHKRAWCQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-5-10-20-16-8-6-15(7-9-16)13(3)19-14(4)17-18-11-12(2)21-17/h6-9,11,13-14,19H,5,10H2,1-4H3.
What are the key properties of N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-(4-propoxyphenyl)ethanamine?
N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-(4-propoxyphenyl)ethanamine has a molecular weight of 304.46 g/mol, XLogP of 4.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-(4-propoxyphenyl)ethanamine is sourced from PubChem (CID 115726990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).