5-[(2-methoxyethylamino)methyl]-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1,3-thiazol-2-amine

C15H23N3OS2 — CID 79490864

IUPAC5-[(2-methoxyethylamino)methyl]-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1,3-thiazol-2-amine
SMILESCOCCNCc1cnc(N(C)C(C)Cc2cccs2)s1
InChIInChI=1S/C15H23N3OS2/c1-12(9-13-5-4-8-20-13)18(2)15-17-11-14(21-15)10-16-6-7-19-3/h4-5,8,11-12,16H,6-7,9-10H2,1-3H3
InChIKeyIKHXEWFYQJZEPI-UHFFFAOYSA-N
MW325.50 g/mol
LogP3.01
Rot. Bonds9

About 5-[(2-methoxyethylamino)methyl]-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1,3-thiazol-2-amine

5-[(2-methoxyethylamino)methyl]-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1,3-thiazol-2-amine (PubChem CID 79490864) has the molecular formula C15H23N3OS2 and a molecular weight of 325.50 g/mol. Its IUPAC name is 5-[(2-methoxyethylamino)methyl]-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(2-methoxyethylamino)methyl]-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1,3-thiazol-2-amine
PubChem CID79490864
Molecular FormulaC15H23N3OS2
Molecular Weight325.50 g/mol
Exact Mass325.13
IUPAC Name5-[(2-methoxyethylamino)methyl]-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1,3-thiazol-2-amine
SMILESCOCCNCc1cnc(N(C)C(C)Cc2cccs2)s1
InChIInChI=1S/C15H23N3OS2/c1-12(9-13-5-4-8-20-13)18(2)15-17-11-14(21-15)10-16-6-7-19-3/h4-5,8,11-12,16H,6-7,9-10H2,1-3H3
InChIKeyIKHXEWFYQJZEPI-UHFFFAOYSA-N
XLogP3.01
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.50
LogP ≤ 53.01
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

5-[(2-methoxyethylamino)methyl]-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1,3,4-oxadiazol-2-amine
CID 106963014
5-[(2-methoxyethylamino)methyl]-N-methyl-N-(2-methylpropyl)-1,3-thiazol-2-amine
CID 62750089
5-[(2-methoxyethylamino)methyl]-N-(4-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine
CID 62753080
N-methyl-N-pentan-2-yl-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 62749940
N-(1-methoxypropan-2-yl)-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
CID 62752523
N,N-dibutyl-5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine
CID 62750412
N-[1-(2-methoxyphenyl)propan-2-yl]-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
CID 65486759
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
N-cyclopropyl-5-(propylaminomethyl)-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine
CID 62752585
N-methyl-6-(propylaminomethyl)-N-(1-thiophen-2-ylpropan-2-yl)pyrazin-2-amine
CID 79490143
methyl 4-methyl-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-1,3-thiazole-5-carboxylate
CID 80570582

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxyethylamino)methyl]-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1,3-thiazol-2-amine?
The IUPAC name of 5-[(2-methoxyethylamino)methyl]-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1,3-thiazol-2-amine (CID 79490864) is 5-[(2-methoxyethylamino)methyl]-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(2-methoxyethylamino)methyl]-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(2-methoxyethylamino)methyl]-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1,3-thiazol-2-amine is COCCNCc1cnc(N(C)C(C)Cc2cccs2)s1.
What is the InChIKey of 5-[(2-methoxyethylamino)methyl]-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1,3-thiazol-2-amine?
The InChIKey is IKHXEWFYQJZEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS2/c1-12(9-13-5-4-8-20-13)18(2)15-17-11-14(21-15)10-16-6-7-19-3/h4-5,8,11-12,16H,6-7,9-10H2,1-3H3.
What are the key properties of 5-[(2-methoxyethylamino)methyl]-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1,3-thiazol-2-amine?
5-[(2-methoxyethylamino)methyl]-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1,3-thiazol-2-amine has a molecular weight of 325.50 g/mol, XLogP of 3.01, 9 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-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 79490864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).