3-(1,2-thiazol-4-yloxy)propan-1-amine

C6H10N2OS — CID 117230054

IUPAC3-(1,2-thiazol-4-yloxy)propan-1-amine
SMILESNCCCOc1cnsc1
InChIInChI=1S/C6H10N2OS/c7-2-1-3-9-6-4-8-10-5-6/h4-5H,1-3,7H2
InChIKeyFGNFTGJYKQHJDK-UHFFFAOYSA-N
MW158.23 g/mol
LogP0.87
Rot. Bonds4

About 3-(1,2-thiazol-4-yloxy)propan-1-amine

3-(1,2-thiazol-4-yloxy)propan-1-amine (PubChem CID 117230054) has the molecular formula C6H10N2OS and a molecular weight of 158.23 g/mol. Its IUPAC name is 3-(1,2-thiazol-4-yloxy)propan-1-amine.

Molecular Properties

Compound Name3-(1,2-thiazol-4-yloxy)propan-1-amine
PubChem CID117230054
Molecular FormulaC6H10N2OS
Molecular Weight158.23 g/mol
Exact Mass158.05
IUPAC Name3-(1,2-thiazol-4-yloxy)propan-1-amine
SMILESNCCCOc1cnsc1
InChIInChI=1S/C6H10N2OS/c7-2-1-3-9-6-4-8-10-5-6/h4-5H,1-3,7H2
InChIKeyFGNFTGJYKQHJDK-UHFFFAOYSA-N
XLogP0.87
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.23
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,2-thiazol-4-yloxymethanamine
CID 117230046
3-[4-(3-aminopropoxy)phenoxy]propan-1-amine
CID 3650737
3-(2-propan-2-ylpyrimidin-5-yl)oxypropan-1-amine
CID 117229894
4-(3-aminopropoxy)pyrazol-1-amine
CID 117229962
3-(4-chlorophenoxy)propan-1-amine;hydrochloride
CID 53439626
3-(1-propan-2-ylpyrazol-4-yl)oxypropan-1-amine
CID 116800727
3-quinoxalin-6-yloxypropan-1-amine
CID 82189749
3-(4-hexoxyphenoxy)propan-1-amine
CID 90318959
3-pyrazin-2-yloxypropan-1-amine
CID 62347439
3-(4-phenoxybutoxy)propan-1-amine
CID 82352658
3-(4-ethynylphenoxy)propan-1-amine
CID 138985437
3-[4-(4-chlorophenoxy)phenoxy]propan-1-amine
CID 154815318

Frequently Asked Questions

What is the IUPAC name of 3-(1,2-thiazol-4-yloxy)propan-1-amine?
The IUPAC name of 3-(1,2-thiazol-4-yloxy)propan-1-amine (CID 117230054) is 3-(1,2-thiazol-4-yloxy)propan-1-amine.
What is the SMILES notation for 3-(1,2-thiazol-4-yloxy)propan-1-amine?
The canonical SMILES for 3-(1,2-thiazol-4-yloxy)propan-1-amine is NCCCOc1cnsc1.
What is the InChIKey of 3-(1,2-thiazol-4-yloxy)propan-1-amine?
The InChIKey is FGNFTGJYKQHJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2OS/c7-2-1-3-9-6-4-8-10-5-6/h4-5H,1-3,7H2.
What are the key properties of 3-(1,2-thiazol-4-yloxy)propan-1-amine?
3-(1,2-thiazol-4-yloxy)propan-1-amine has a molecular weight of 158.23 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2-thiazol-4-yloxy)propan-1-amine is sourced from PubChem (CID 117230054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).