5-[(2-methoxyethylamino)methyl]-N-(4-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine

C15H21N3O2S — CID 62753080

IUPAC5-[(2-methoxyethylamino)methyl]-N-(4-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine
SMILESCOCCNCc1cnc(N(C)c2ccc(OC)cc2)s1
InChIInChI=1S/C15H21N3O2S/c1-18(12-4-6-13(20-3)7-5-12)15-17-11-14(21-15)10-16-8-9-19-2/h4-7,11,16H,8-10H2,1-3H3
InChIKeyMYGFQKBICIHNDK-UHFFFAOYSA-N
MW307.42 g/mol
LogP2.66
Rot. Bonds8

About 5-[(2-methoxyethylamino)methyl]-N-(4-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine

5-[(2-methoxyethylamino)methyl]-N-(4-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine (PubChem CID 62753080) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is 5-[(2-methoxyethylamino)methyl]-N-(4-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(2-methoxyethylamino)methyl]-N-(4-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine
PubChem CID62753080
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name5-[(2-methoxyethylamino)methyl]-N-(4-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine
SMILESCOCCNCc1cnc(N(C)c2ccc(OC)cc2)s1
InChIInChI=1S/C15H21N3O2S/c1-18(12-4-6-13(20-3)7-5-12)15-17-11-14(21-15)10-16-8-9-19-2/h4-7,11,16H,8-10H2,1-3H3
InChIKeyMYGFQKBICIHNDK-UHFFFAOYSA-N
XLogP2.66
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methoxyphenyl)-N-methyl-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 62752896
5-[(2-methoxyethylamino)methyl]-N-methyl-N-(2-methylpropyl)-1,3-thiazol-2-amine
CID 62750089
N,N-dibutyl-5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine
CID 62750412
5-[(2-methoxyethylamino)methyl]-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1,3-thiazol-2-amine
CID 79490864
N-cyclopentyl-N-ethyl-5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine
CID 62751285
5-[(2-methoxyethylamino)methyl]-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazol-2-amine
CID 62754965
2-methoxy-N-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 82424209
5-[(2-methoxyethylamino)methyl]-N,4-dimethyl-N-(4-methylphenyl)-1,3-thiazol-2-amine
CID 62768224
2-methoxy-N-[(5-methoxy-2-pyridinyl)methyl]ethanamine
CID 79794826
N-methyl-N-(3-methylphenyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 62752533
N-(2-methoxyethyl)-N'-(4-methoxyphenyl)-N'-methylethane-1,2-diamine
CID 62573488
5-(1-aminoethyl)-N-(4-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine
CID 62750864

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxyethylamino)methyl]-N-(4-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[(2-methoxyethylamino)methyl]-N-(4-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine (CID 62753080) is 5-[(2-methoxyethylamino)methyl]-N-(4-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(2-methoxyethylamino)methyl]-N-(4-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(2-methoxyethylamino)methyl]-N-(4-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine is COCCNCc1cnc(N(C)c2ccc(OC)cc2)s1.
What is the InChIKey of 5-[(2-methoxyethylamino)methyl]-N-(4-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine?
The InChIKey is MYGFQKBICIHNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-18(12-4-6-13(20-3)7-5-12)15-17-11-14(21-15)10-16-8-9-19-2/h4-7,11,16H,8-10H2,1-3H3.
What are the key properties of 5-[(2-methoxyethylamino)methyl]-N-(4-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine?
5-[(2-methoxyethylamino)methyl]-N-(4-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine has a molecular weight of 307.42 g/mol, XLogP of 2.66, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxyethylamino)methyl]-N-(4-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 62753080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).