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

C7H13N3OS — CID 96656461

IUPAC4-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine
SMILESCOCCNCc1csc(N)n1
InChIInChI=1S/C7H13N3OS/c1-11-3-2-9-4-6-5-12-7(8)10-6/h5,9H,2-4H2,1H3,(H2,8,10)
InChIKeyHZLIFGKUEBNSNL-UHFFFAOYSA-N
MW187.27 g/mol
LogP0.46
Rot. Bonds5

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

4-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine (PubChem CID 96656461) has the molecular formula C7H13N3OS and a molecular weight of 187.27 g/mol. Its IUPAC name is 4-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine
PubChem CID96656461
Molecular FormulaC7H13N3OS
Molecular Weight187.27 g/mol
Exact Mass187.08
IUPAC Name4-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine
SMILESCOCCNCc1csc(N)n1
InChIInChI=1S/C7H13N3OS/c1-11-3-2-9-4-6-5-12-7(8)10-6/h5,9H,2-4H2,1H3,(H2,8,10)
InChIKeyHZLIFGKUEBNSNL-UHFFFAOYSA-N
XLogP0.46
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.27
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(ethylaminomethyl)-1,3-thiazol-2-amine
CID 61325594
4-[2-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethyl]-1,3-thiazol-2-amine
CID 65485633
4-(3-methoxypropylsulfanylmethyl)-1,3-thiazol-2-amine
CID 63857547
2-methoxy-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]ethanamine
CID 82515813
2-methoxy-N-[[2-(2-methoxybutan-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 102929431
N-(2-methoxyethyl)-4-[(2-methoxyethylamino)methyl]-N-propan-2-yl-1,3-thiazol-2-amine
CID 82965911
N,N-diethyl-2-[4-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-yl]ethanamine
CID 82515371
2-methoxy-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethanamine
CID 43234329
4-[[2-(2-methoxyethoxy)ethylamino]methyl]-1,3-thiazole-2-carboxylic acid
CID 103243896
4-methoxy-N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]butan-1-amine
CID 115652225
N-[[2-[2-(4-fluorophenoxy)ethyl]-1,3-thiazol-4-yl]methyl]-2-methoxyethanamine
CID 82516321
3-methoxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propan-1-amine;hydrochloride
CID 115589584

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine (CID 96656461) is 4-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine is COCCNCc1csc(N)n1.
What is the InChIKey of 4-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine?
The InChIKey is HZLIFGKUEBNSNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3OS/c1-11-3-2-9-4-6-5-12-7(8)10-6/h5,9H,2-4H2,1H3,(H2,8,10).
What are the key properties of 4-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine?
4-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine has a molecular weight of 187.27 g/mol, XLogP of 0.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 96656461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).