[3-[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]phenyl]methanamine

C15H20N2O2S — CID 102929160

IUPAC[3-[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]phenyl]methanamine
SMILESCOCCOCCc1nc(-c2cccc(CN)c2)cs1
InChIInChI=1S/C15H20N2O2S/c1-18-7-8-19-6-5-15-17-14(11-20-15)13-4-2-3-12(9-13)10-16/h2-4,9,11H,5-8,10,16H2,1H3
InChIKeyCHFLEUBQIMCUAE-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.47
Rot. Bonds8

About [3-[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]phenyl]methanamine

[3-[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]phenyl]methanamine (PubChem CID 102929160) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is [3-[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]phenyl]methanamine.

Molecular Properties

Compound Name[3-[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]phenyl]methanamine
PubChem CID102929160
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name[3-[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]phenyl]methanamine
SMILESCOCCOCCc1nc(-c2cccc(CN)c2)cs1
InChIInChI=1S/C15H20N2O2S/c1-18-7-8-19-6-5-15-17-14(11-20-15)13-4-2-3-12(9-13)10-16/h2-4,9,11H,5-8,10,16H2,1H3
InChIKeyCHFLEUBQIMCUAE-UHFFFAOYSA-N
XLogP2.47
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[3-(2-benzyl-1,3-thiazol-4-yl)phenyl]methanamine
CID 63152526
[3-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]phenyl]methanamine
CID 63152203
1-[4-[3-(aminomethyl)phenyl]-1,3-thiazol-2-yl]-2-(2-methoxyethyl)guanidine
CID 19439669
2-chloro-5-[2-(2-methoxyethyl)-1,3-thiazol-4-yl]aniline
CID 39164043
[3-(2-butan-2-yl-1,3-thiazol-4-yl)phenyl]methanamine
CID 63717442
[4-(2-benzyl-1,3-thiazol-4-yl)phenyl]methanamine
CID 63152013
[3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methanamine
CID 20983736
2-(2-methoxyethoxy)-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]acetamide
CID 108738527
2-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]ethanamine
CID 105473201
2-[2-(2-methoxyethoxy)ethoxy]ethyl 3-(aminomethyl)benzoate
CID 104563130
4-[2-(2-methoxyethyl)-1,3-thiazol-4-yl]benzoic acid
CID 63152487
2-[3-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 102926840

Frequently Asked Questions

What is the IUPAC name of [3-[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]phenyl]methanamine?
The IUPAC name of [3-[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]phenyl]methanamine (CID 102929160) is [3-[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]phenyl]methanamine.
What is the SMILES notation for [3-[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]phenyl]methanamine?
The canonical SMILES for [3-[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]phenyl]methanamine is COCCOCCc1nc(-c2cccc(CN)c2)cs1.
What is the InChIKey of [3-[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]phenyl]methanamine?
The InChIKey is CHFLEUBQIMCUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-18-7-8-19-6-5-15-17-14(11-20-15)13-4-2-3-12(9-13)10-16/h2-4,9,11H,5-8,10,16H2,1H3.
What are the key properties of [3-[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]phenyl]methanamine?
[3-[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]phenyl]methanamine has a molecular weight of 292.40 g/mol, XLogP of 2.47, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]phenyl]methanamine is sourced from PubChem (CID 102929160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).