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

C15H29N3O2S — CID 79382219

IUPAC5-[(2-methoxyethylamino)methyl]-N-(1-methoxypropan-2-yl)-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine
SMILESCOCCNCc1sc(N(C)C(C)COC)nc1C(C)C
InChIInChI=1S/C15H29N3O2S/c1-11(2)14-13(9-16-7-8-19-5)21-15(17-14)18(4)12(3)10-20-6/h11-12,16H,7-10H2,1-6H3
InChIKeyMCQTWSQUEQYFOG-UHFFFAOYSA-N
MW315.48 g/mol
LogP2.47
Rot. Bonds10

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

5-[(2-methoxyethylamino)methyl]-N-(1-methoxypropan-2-yl)-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine (PubChem CID 79382219) has the molecular formula C15H29N3O2S and a molecular weight of 315.48 g/mol. Its IUPAC name is 5-[(2-methoxyethylamino)methyl]-N-(1-methoxypropan-2-yl)-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(2-methoxyethylamino)methyl]-N-(1-methoxypropan-2-yl)-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine
PubChem CID79382219
Molecular FormulaC15H29N3O2S
Molecular Weight315.48 g/mol
Exact Mass315.20
IUPAC Name5-[(2-methoxyethylamino)methyl]-N-(1-methoxypropan-2-yl)-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine
SMILESCOCCNCc1sc(N(C)C(C)COC)nc1C(C)C
InChIInChI=1S/C15H29N3O2S/c1-11(2)14-13(9-16-7-8-19-5)21-15(17-14)18(4)12(3)10-20-6/h11-12,16H,7-10H2,1-6H3
InChIKeyMCQTWSQUEQYFOG-UHFFFAOYSA-N
XLogP2.47
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.48
LogP ≤ 52.47
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-(1-methoxypropan-2-yl)-N-methyl-5-[(2-methylpropylamino)methyl]-4-propan-2-yl-1,3-thiazol-2-amine
CID 79382218
5-[(cyclopropylamino)methyl]-N-(1-methoxypropan-2-yl)-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine
CID 79392792
N-butan-2-yl-5-[(2-methoxyethylamino)methyl]-N-methyl-4-propyl-1,3-thiazol-2-amine
CID 62767611
N-(cyclopropylmethyl)-N-ethyl-5-[(2-methoxyethylamino)methyl]-4-propan-2-yl-1,3-thiazol-2-amine
CID 79382131
2-[5-[(2-methoxyethylamino)methyl]-4-propan-2-yl-1,3-thiazol-2-yl]-N,N-dimethylethanamine
CID 82435372
N-benzyl-N-ethyl-5-[(2-methoxyethylamino)methyl]-4-propan-2-yl-1,3-thiazol-2-amine
CID 113247542
5-(ethylaminomethyl)-N-methyl-N,4-di(propan-2-yl)-1,3-thiazol-2-amine
CID 79395786
5-(ethylaminomethyl)-N-methyl-N-(4-methylpentan-2-yl)-4-propan-2-yl-1,3-thiazol-2-amine
CID 79392937
5-[(2-methoxyethylamino)methyl]-4-(methoxymethyl)-N-methyl-N-(3-methylbutan-2-yl)-1,3-thiazol-2-amine
CID 107509861
N-[(2-cyclopropyl-4-propan-2-yl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine
CID 82434552
4-ethyl-5-[(2-methoxyethylamino)methyl]-N-methyl-N-(3-methylbutyl)-1,3-thiazol-2-amine
CID 62767763
4-ethyl-5-[(2-methoxyethylamino)methyl]-N,N-dimethyl-1,3-thiazol-2-amine
CID 62765858

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxyethylamino)methyl]-N-(1-methoxypropan-2-yl)-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine?
The IUPAC name of 5-[(2-methoxyethylamino)methyl]-N-(1-methoxypropan-2-yl)-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine (CID 79382219) is 5-[(2-methoxyethylamino)methyl]-N-(1-methoxypropan-2-yl)-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(2-methoxyethylamino)methyl]-N-(1-methoxypropan-2-yl)-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(2-methoxyethylamino)methyl]-N-(1-methoxypropan-2-yl)-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine is COCCNCc1sc(N(C)C(C)COC)nc1C(C)C.
What is the InChIKey of 5-[(2-methoxyethylamino)methyl]-N-(1-methoxypropan-2-yl)-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine?
The InChIKey is MCQTWSQUEQYFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2S/c1-11(2)14-13(9-16-7-8-19-5)21-15(17-14)18(4)12(3)10-20-6/h11-12,16H,7-10H2,1-6H3.
What are the key properties of 5-[(2-methoxyethylamino)methyl]-N-(1-methoxypropan-2-yl)-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine?
5-[(2-methoxyethylamino)methyl]-N-(1-methoxypropan-2-yl)-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine has a molecular weight of 315.48 g/mol, XLogP of 2.47, 10 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-(1-methoxypropan-2-yl)-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 79382219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).