1-[4-cyclopropyl-2-[(2-ethylphenoxy)methyl]-1,3-thiazol-5-yl]ethanamine

C17H22N2OS — CID 82436492

IUPAC1-[4-cyclopropyl-2-[(2-ethylphenoxy)methyl]-1,3-thiazol-5-yl]ethanamine
SMILESCCc1ccccc1OCc1nc(C2CC2)c(C(C)N)s1
InChIInChI=1S/C17H22N2OS/c1-3-12-6-4-5-7-14(12)20-10-15-19-16(13-8-9-13)17(21-15)11(2)18/h4-7,11,13H,3,8-10,18H2,1-2H3
InChIKeyJUNKXGVRHLEBRO-UHFFFAOYSA-N
MW302.44 g/mol
LogP4.18
Rot. Bonds6

About 1-[4-cyclopropyl-2-[(2-ethylphenoxy)methyl]-1,3-thiazol-5-yl]ethanamine

1-[4-cyclopropyl-2-[(2-ethylphenoxy)methyl]-1,3-thiazol-5-yl]ethanamine (PubChem CID 82436492) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is 1-[4-cyclopropyl-2-[(2-ethylphenoxy)methyl]-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[4-cyclopropyl-2-[(2-ethylphenoxy)methyl]-1,3-thiazol-5-yl]ethanamine
PubChem CID82436492
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Name1-[4-cyclopropyl-2-[(2-ethylphenoxy)methyl]-1,3-thiazol-5-yl]ethanamine
SMILESCCc1ccccc1OCc1nc(C2CC2)c(C(C)N)s1
InChIInChI=1S/C17H22N2OS/c1-3-12-6-4-5-7-14(12)20-10-15-19-16(13-8-9-13)17(21-15)11(2)18/h4-7,11,13H,3,8-10,18H2,1-2H3
InChIKeyJUNKXGVRHLEBRO-UHFFFAOYSA-N
XLogP4.18
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(2-chlorophenoxy)methyl]-4-cyclopropyl-1,3-thiazol-5-yl]ethanamine
CID 82436599
1-[2-[(2-ethylphenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]ethanamine
CID 82440458
1-[4-cyclopropyl-2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]ethanamine
CID 82437555
4-cyclopropyl-2-[(2-ethoxyphenoxy)methyl]-1,3-thiazole-5-carbonitrile
CID 82436650
1-[4-cyclopropyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]ethanamine
CID 82436767
[2-[(2-ethylphenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 82440456
[2-[(2-ethylphenoxy)methyl]-1,3-thiazol-5-yl]methanol
CID 82190907
1-[4-cyclopropyl-2-[2-(4-ethylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]ethanamine
CID 82437884
2-[(2-ethylphenoxy)methyl]-1,3-thiazole-5-carbohydrazide
CID 82422860
[4-cyclopropyl-2-[(3-ethylphenoxy)methyl]-1,3-thiazol-5-yl]methanamine
CID 82436502
1-[4-cyclopropyl-2-[(3-ethylphenoxy)methyl]-1,3-thiazol-5-yl]ethanone
CID 82436503
1-ethyl-2-[(4-ethylphenyl)methoxy]benzene
CID 64764755

Frequently Asked Questions

What is the IUPAC name of 1-[4-cyclopropyl-2-[(2-ethylphenoxy)methyl]-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of 1-[4-cyclopropyl-2-[(2-ethylphenoxy)methyl]-1,3-thiazol-5-yl]ethanamine (CID 82436492) is 1-[4-cyclopropyl-2-[(2-ethylphenoxy)methyl]-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for 1-[4-cyclopropyl-2-[(2-ethylphenoxy)methyl]-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for 1-[4-cyclopropyl-2-[(2-ethylphenoxy)methyl]-1,3-thiazol-5-yl]ethanamine is CCc1ccccc1OCc1nc(C2CC2)c(C(C)N)s1.
What is the InChIKey of 1-[4-cyclopropyl-2-[(2-ethylphenoxy)methyl]-1,3-thiazol-5-yl]ethanamine?
The InChIKey is JUNKXGVRHLEBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-3-12-6-4-5-7-14(12)20-10-15-19-16(13-8-9-13)17(21-15)11(2)18/h4-7,11,13H,3,8-10,18H2,1-2H3.
What are the key properties of 1-[4-cyclopropyl-2-[(2-ethylphenoxy)methyl]-1,3-thiazol-5-yl]ethanamine?
1-[4-cyclopropyl-2-[(2-ethylphenoxy)methyl]-1,3-thiazol-5-yl]ethanamine has a molecular weight of 302.44 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-cyclopropyl-2-[(2-ethylphenoxy)methyl]-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 82436492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).