[2-[2-(4-ethylphenoxy)ethyl]-4-propyl-1,3-thiazol-5-yl]methanamine

C17H24N2OS — CID 82432505

IUPAC[2-[2-(4-ethylphenoxy)ethyl]-4-propyl-1,3-thiazol-5-yl]methanamine
SMILESCCCc1nc(CCOc2ccc(CC)cc2)sc1CN
InChIInChI=1S/C17H24N2OS/c1-3-5-15-16(12-18)21-17(19-15)10-11-20-14-8-6-13(4-2)7-9-14/h6-9H,3-5,10-12,18H2,1-2H3
InChIKeyOVGNHYGSXCPXKO-UHFFFAOYSA-N
MW304.46 g/mol
LogP3.74
Rot. Bonds8

About [2-[2-(4-ethylphenoxy)ethyl]-4-propyl-1,3-thiazol-5-yl]methanamine

[2-[2-(4-ethylphenoxy)ethyl]-4-propyl-1,3-thiazol-5-yl]methanamine (PubChem CID 82432505) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is [2-[2-(4-ethylphenoxy)ethyl]-4-propyl-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-[2-(4-ethylphenoxy)ethyl]-4-propyl-1,3-thiazol-5-yl]methanamine
PubChem CID82432505
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC Name[2-[2-(4-ethylphenoxy)ethyl]-4-propyl-1,3-thiazol-5-yl]methanamine
SMILESCCCc1nc(CCOc2ccc(CC)cc2)sc1CN
InChIInChI=1S/C17H24N2OS/c1-3-5-15-16(12-18)21-17(19-15)10-11-20-14-8-6-13(4-2)7-9-14/h6-9H,3-5,10-12,18H2,1-2H3
InChIKeyOVGNHYGSXCPXKO-UHFFFAOYSA-N
XLogP3.74
TPSA48.14 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 ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-ethyl-2-[2-(4-propan-2-ylphenoxy)ethyl]-1,3-thiazol-5-yl]methanamine
CID 82429771
[2-[2-(4-ethylphenoxy)ethyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
CID 82441054
[4-ethyl-2-[2-(3-methylphenoxy)ethyl]-1,3-thiazol-5-yl]methanamine
CID 82429739
[2-[2-(3,4-dimethylphenoxy)ethyl]-4-propyl-1,3-thiazol-5-yl]methanol
CID 82432524
[2-(propoxymethyl)-4-propyl-1,3-thiazol-5-yl]methanamine
CID 114361329
[4-ethyl-2-[(4-methoxyphenyl)methyl]-1,3-thiazol-5-yl]methanamine
CID 82428463
[2-[2-(4-fluorophenoxy)ethyl]-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
CID 82434838
2-[2-(4-methoxyphenoxy)ethyl]-4-propyl-1,3-thiazole-5-carbonitrile
CID 82432556
[2-[2-(3,5-dimethylphenoxy)ethyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 82441080
[2-[2-(4-chlorophenoxy)ethyl]-4-cyclopropyl-1,3-thiazol-5-yl]methanamine
CID 82437189
2-[2-(4-fluorophenoxy)ethyl]-4-propyl-1,3-thiazole-5-carboxylic acid
CID 94760645
[2-(2,2-dimethylpropyl)-4-propyl-1,3-thiazol-5-yl]methanamine
CID 114361240

Frequently Asked Questions

What is the IUPAC name of [2-[2-(4-ethylphenoxy)ethyl]-4-propyl-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-[2-(4-ethylphenoxy)ethyl]-4-propyl-1,3-thiazol-5-yl]methanamine (CID 82432505) is [2-[2-(4-ethylphenoxy)ethyl]-4-propyl-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-[2-(4-ethylphenoxy)ethyl]-4-propyl-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-[2-(4-ethylphenoxy)ethyl]-4-propyl-1,3-thiazol-5-yl]methanamine is CCCc1nc(CCOc2ccc(CC)cc2)sc1CN.
What is the InChIKey of [2-[2-(4-ethylphenoxy)ethyl]-4-propyl-1,3-thiazol-5-yl]methanamine?
The InChIKey is OVGNHYGSXCPXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-3-5-15-16(12-18)21-17(19-15)10-11-20-14-8-6-13(4-2)7-9-14/h6-9H,3-5,10-12,18H2,1-2H3.
What are the key properties of [2-[2-(4-ethylphenoxy)ethyl]-4-propyl-1,3-thiazol-5-yl]methanamine?
[2-[2-(4-ethylphenoxy)ethyl]-4-propyl-1,3-thiazol-5-yl]methanamine has a molecular weight of 304.46 g/mol, XLogP of 3.74, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(4-ethylphenoxy)ethyl]-4-propyl-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 82432505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).