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

C13H25N3O2S — CID 82965911

IUPACN-(2-methoxyethyl)-4-[(2-methoxyethylamino)methyl]-N-propan-2-yl-1,3-thiazol-2-amine
SMILESCOCCNCc1csc(N(CCOC)C(C)C)n1
InChIInChI=1S/C13H25N3O2S/c1-11(2)16(6-8-18-4)13-15-12(10-19-13)9-14-5-7-17-3/h10-11,14H,5-9H2,1-4H3
InChIKeyYRVSONKISQEVRU-UHFFFAOYSA-N
MW287.43 g/mol
LogP1.74
Rot. Bonds10

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

N-(2-methoxyethyl)-4-[(2-methoxyethylamino)methyl]-N-propan-2-yl-1,3-thiazol-2-amine (PubChem CID 82965911) has the molecular formula C13H25N3O2S and a molecular weight of 287.43 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-[(2-methoxyethylamino)methyl]-N-propan-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-[(2-methoxyethylamino)methyl]-N-propan-2-yl-1,3-thiazol-2-amine
PubChem CID82965911
Molecular FormulaC13H25N3O2S
Molecular Weight287.43 g/mol
Exact Mass287.17
IUPAC NameN-(2-methoxyethyl)-4-[(2-methoxyethylamino)methyl]-N-propan-2-yl-1,3-thiazol-2-amine
SMILESCOCCNCc1csc(N(CCOC)C(C)C)n1
InChIInChI=1S/C13H25N3O2S/c1-11(2)16(6-8-18-4)13-15-12(10-19-13)9-14-5-7-17-3/h10-11,14H,5-9H2,1-4H3
InChIKeyYRVSONKISQEVRU-UHFFFAOYSA-N
XLogP1.74
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 51.74
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

2-[2-[2-methoxyethyl(propan-2-yl)amino]-1,3-thiazol-4-yl]acetic acid
CID 82952489
4-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine
CID 96656461
methyl 2-[2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1,3-thiazol-4-yl]acetate
CID 80575730
2-amino-2-[2-[2-methoxyethyl(propan-2-yl)amino]-1,3-thiazol-4-yl]acetic acid
CID 113423150
3-methoxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propan-1-amine;hydrochloride
CID 115589584
N,N-diethyl-2-[4-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-yl]ethanamine
CID 82515371
4-[[2-[2-methoxyethyl(methyl)amino]ethylamino]methyl]-1,3-thiazole-2-carboxylic acid
CID 103249706
5-[(2-methoxyethylamino)methyl]-N-propan-2-yl-N,4-dipropyl-1,3-thiazol-2-amine
CID 62766747
N-(2-methoxyethyl)-N-propan-2-yl-6-(propylaminomethyl)pyridazin-3-amine
CID 82953348
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-propan-2-yloxyethanamine
CID 61485001
N-(2-methoxyethyl)-5-[(2-methylpropylamino)methyl]-N-propan-2-ylpyrazin-2-amine
CID 107380720
4-[[2-(2-methoxyethoxy)ethylamino]methyl]-1,3-thiazole-2-carboxylic acid
CID 103243896

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-[(2-methoxyethylamino)methyl]-N-propan-2-yl-1,3-thiazol-2-amine?
The IUPAC name of N-(2-methoxyethyl)-4-[(2-methoxyethylamino)methyl]-N-propan-2-yl-1,3-thiazol-2-amine (CID 82965911) is N-(2-methoxyethyl)-4-[(2-methoxyethylamino)methyl]-N-propan-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-methoxyethyl)-4-[(2-methoxyethylamino)methyl]-N-propan-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-methoxyethyl)-4-[(2-methoxyethylamino)methyl]-N-propan-2-yl-1,3-thiazol-2-amine is COCCNCc1csc(N(CCOC)C(C)C)n1.
What is the InChIKey of N-(2-methoxyethyl)-4-[(2-methoxyethylamino)methyl]-N-propan-2-yl-1,3-thiazol-2-amine?
The InChIKey is YRVSONKISQEVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2S/c1-11(2)16(6-8-18-4)13-15-12(10-19-13)9-14-5-7-17-3/h10-11,14H,5-9H2,1-4H3.
What are the key properties of N-(2-methoxyethyl)-4-[(2-methoxyethylamino)methyl]-N-propan-2-yl-1,3-thiazol-2-amine?
N-(2-methoxyethyl)-4-[(2-methoxyethylamino)methyl]-N-propan-2-yl-1,3-thiazol-2-amine has a molecular weight of 287.43 g/mol, XLogP of 1.74, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-[(2-methoxyethylamino)methyl]-N-propan-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 82965911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).