4-[3-amino-4-(2-methoxyethoxy)phenyl]-1,3-thiazol-2-amine

C12H15N3O2S — CID 168950454

IUPAC4-[3-amino-4-(2-methoxyethoxy)phenyl]-1,3-thiazol-2-amine
SMILESCOCCOc1ccc(-c2csc(N)n2)cc1N
InChIInChI=1S/C12H15N3O2S/c1-16-4-5-17-11-3-2-8(6-9(11)13)10-7-18-12(14)15-10/h2-3,6-7H,4-5,13H2,1H3,(H2,14,15)
InChIKeyANTXEEHNWOWEEF-UHFFFAOYSA-N
MW265.34 g/mol
LogP2.00
Rot. Bonds5

About 4-[3-amino-4-(2-methoxyethoxy)phenyl]-1,3-thiazol-2-amine

4-[3-amino-4-(2-methoxyethoxy)phenyl]-1,3-thiazol-2-amine (PubChem CID 168950454) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is 4-[3-amino-4-(2-methoxyethoxy)phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[3-amino-4-(2-methoxyethoxy)phenyl]-1,3-thiazol-2-amine
PubChem CID168950454
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC Name4-[3-amino-4-(2-methoxyethoxy)phenyl]-1,3-thiazol-2-amine
SMILESCOCCOc1ccc(-c2csc(N)n2)cc1N
InChIInChI=1S/C12H15N3O2S/c1-16-4-5-17-11-3-2-8(6-9(11)13)10-7-18-12(14)15-10/h2-3,6-7H,4-5,13H2,1H3,(H2,14,15)
InChIKeyANTXEEHNWOWEEF-UHFFFAOYSA-N
XLogP2.00
TPSA83.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-(2-ethyl-1,3-thiazol-4-yl)-2-pentoxyaniline
CID 82057785
2-[2-amino-4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenoxy]ethanol
CID 82152286
5-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-propoxyaniline
CID 82152285
4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-amine
CID 746809
5-(2-ethyl-1,3-thiazol-4-yl)-2-(2-methylpropoxy)aniline
CID 82057810
2-chloro-5-[2-(2-methoxyethyl)-1,3-thiazol-4-yl]aniline
CID 39164043
2-ethoxy-5-[2-(3-methylphenyl)-1,3-thiazol-4-yl]aniline
CID 93205686
4-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]-1,3-thiazol-2-amine
CID 57461647
5-ethyl-2-(2-methoxyethoxy)aniline
CID 54853265
2-[2-amino-4-(2-propyl-1,3-thiazol-4-yl)phenoxy]acetonitrile
CID 82057793
4-[(E)-2-[3-bromo-4-(2-methoxyethoxy)phenyl]ethenyl]-1,3-thiazol-2-amine
CID 104658438
N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3,4-dimethoxybenzamide
CID 23102404

Frequently Asked Questions

What is the IUPAC name of 4-[3-amino-4-(2-methoxyethoxy)phenyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[3-amino-4-(2-methoxyethoxy)phenyl]-1,3-thiazol-2-amine (CID 168950454) is 4-[3-amino-4-(2-methoxyethoxy)phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[3-amino-4-(2-methoxyethoxy)phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[3-amino-4-(2-methoxyethoxy)phenyl]-1,3-thiazol-2-amine is COCCOc1ccc(-c2csc(N)n2)cc1N.
What is the InChIKey of 4-[3-amino-4-(2-methoxyethoxy)phenyl]-1,3-thiazol-2-amine?
The InChIKey is ANTXEEHNWOWEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-16-4-5-17-11-3-2-8(6-9(11)13)10-7-18-12(14)15-10/h2-3,6-7H,4-5,13H2,1H3,(H2,14,15).
What are the key properties of 4-[3-amino-4-(2-methoxyethoxy)phenyl]-1,3-thiazol-2-amine?
4-[3-amino-4-(2-methoxyethoxy)phenyl]-1,3-thiazol-2-amine has a molecular weight of 265.34 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-amino-4-(2-methoxyethoxy)phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 168950454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).