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

C12H15N3OS — CID 28857982

IUPAC4-[2-(3-aminopropoxy)phenyl]-1,3-thiazol-2-amine
SMILESNCCCOc1ccccc1-c1csc(N)n1
InChIInChI=1S/C12H15N3OS/c13-6-3-7-16-11-5-2-1-4-9(11)10-8-17-12(14)15-10/h1-2,4-5,8H,3,6-7,13H2,(H2,14,15)
InChIKeyNDZHRORCDQMSJV-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.12
Rot. Bonds5

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

4-[2-(3-aminopropoxy)phenyl]-1,3-thiazol-2-amine (PubChem CID 28857982) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is 4-[2-(3-aminopropoxy)phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[2-(3-aminopropoxy)phenyl]-1,3-thiazol-2-amine
PubChem CID28857982
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name4-[2-(3-aminopropoxy)phenyl]-1,3-thiazol-2-amine
SMILESNCCCOc1ccccc1-c1csc(N)n1
InChIInChI=1S/C12H15N3OS/c13-6-3-7-16-11-5-2-1-4-9(11)10-8-17-12(14)15-10/h1-2,4-5,8H,3,6-7,13H2,(H2,14,15)
InChIKeyNDZHRORCDQMSJV-UHFFFAOYSA-N
XLogP2.12
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]ethanol
CID 28857958
4-[2-(2-phenoxyethoxy)phenyl]-1,3-thiazol-2-amine
CID 28857922
4-(2-aminophenyl)-1,3-thiazol-2-amine
CID 28865398
ethyl 2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]acetate;hydrobromide
CID 56832420
3-[2-(1,2-oxazol-3-yl)phenoxy]propan-1-amine
CID 154238889
2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]-1-pyrrolidin-1-ylethanone
CID 28857676
cyclopentyl 2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]acetate
CID 28857824
2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]-N-benzylacetamide
CID 28857665
4-[3-(4,4-dimethylpentoxy)-2-methoxyphenyl]-1,3-thiazol-2-amine
CID 87474347
N-methyl-4-[2-[2-[2-[2-(methylamino)-1,3-thiazol-4-yl]phenoxy]ethoxy]phenyl]-1,3-thiazol-2-amine
CID 139228012
2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]-N-(2-methylphenyl)acetamide
CID 28857578
2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]-N-(4-tert-butylphenyl)acetamide
CID 28857661

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-aminopropoxy)phenyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[2-(3-aminopropoxy)phenyl]-1,3-thiazol-2-amine (CID 28857982) is 4-[2-(3-aminopropoxy)phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[2-(3-aminopropoxy)phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[2-(3-aminopropoxy)phenyl]-1,3-thiazol-2-amine is NCCCOc1ccccc1-c1csc(N)n1.
What is the InChIKey of 4-[2-(3-aminopropoxy)phenyl]-1,3-thiazol-2-amine?
The InChIKey is NDZHRORCDQMSJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c13-6-3-7-16-11-5-2-1-4-9(11)10-8-17-12(14)15-10/h1-2,4-5,8H,3,6-7,13H2,(H2,14,15).
What are the key properties of 4-[2-(3-aminopropoxy)phenyl]-1,3-thiazol-2-amine?
4-[2-(3-aminopropoxy)phenyl]-1,3-thiazol-2-amine has a molecular weight of 249.34 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-aminopropoxy)phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 28857982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).