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

C17H24N2OS — CID 82431840

IUPACN-[[2-[(4-methylphenoxy)methyl]-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCCc1nc(COc2ccc(C)cc2)sc1CNCC
InChIInChI=1S/C17H24N2OS/c1-4-6-15-16(11-18-5-2)21-17(19-15)12-20-14-9-7-13(3)8-10-14/h7-10,18H,4-6,11-12H2,1-3H3
InChIKeyMSUXNXXCLHJNOM-UHFFFAOYSA-N
MW304.46 g/mol
LogP4.09
Rot. Bonds8

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

N-[[2-[(4-methylphenoxy)methyl]-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 82431840) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is N-[[2-[(4-methylphenoxy)methyl]-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-[(4-methylphenoxy)methyl]-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID82431840
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC NameN-[[2-[(4-methylphenoxy)methyl]-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCCc1nc(COc2ccc(C)cc2)sc1CNCC
InChIInChI=1S/C17H24N2OS/c1-4-6-15-16(11-18-5-2)21-17(19-15)12-20-14-9-7-13(3)8-10-14/h7-10,18H,4-6,11-12H2,1-3H3
InChIKeyMSUXNXXCLHJNOM-UHFFFAOYSA-N
XLogP4.09
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-methylphenoxy)methyl]-4-propyl-1,3-thiazole-5-carbohydrazide
CID 82431851
N-[[2-[(4-fluorophenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 82440542
N-[[2-[(4-chlorophenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 82193620
N-[[2-(4-methylphenyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 82431618
N-[[2-(4-methoxyphenyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 82432649
4-ethyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-5-carbohydrazide
CID 82428854
N-[[2-(methoxymethyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82432837
N-methyl-1-[2-[(4-methylphenyl)methyl]-4-propyl-1,3-thiazol-5-yl]methanamine
CID 114363582
[4-(methoxymethyl)-2-[(4-methylphenoxy)methyl]-1,3-thiazol-5-yl]methanethiol
CID 82440431
1-[4-ethyl-2-[(4-methylphenoxy)methyl]-1,3-thiazol-5-yl]ethanone
CID 82428850
[4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazol-5-yl]methanethiol
CID 82426004
[2-[(2,6-dimethylphenoxy)methyl]-4-propyl-1,3-thiazol-5-yl]methanol
CID 82431915

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-methylphenoxy)methyl]-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[2-[(4-methylphenoxy)methyl]-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine (CID 82431840) is N-[[2-[(4-methylphenoxy)methyl]-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-[(4-methylphenoxy)methyl]-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-[(4-methylphenoxy)methyl]-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine is CCCc1nc(COc2ccc(C)cc2)sc1CNCC.
What is the InChIKey of N-[[2-[(4-methylphenoxy)methyl]-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is MSUXNXXCLHJNOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-4-6-15-16(11-18-5-2)21-17(19-15)12-20-14-9-7-13(3)8-10-14/h7-10,18H,4-6,11-12H2,1-3H3.
What are the key properties of N-[[2-[(4-methylphenoxy)methyl]-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine?
N-[[2-[(4-methylphenoxy)methyl]-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 304.46 g/mol, XLogP of 4.09, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(4-methylphenoxy)methyl]-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 82431840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).