4-(4,4,6,6-tetramethylfuro[3,4-d][1,3]thiazol-2-yl)butan-1-amine

C13H22N2OS — CID 79916347

IUPAC4-(4,4,6,6-tetramethylfuro[3,4-d][1,3]thiazol-2-yl)butan-1-amine
SMILESCC1(C)OC(C)(C)c2sc(CCCCN)nc21
InChIInChI=1S/C13H22N2OS/c1-12(2)10-11(13(3,4)16-12)17-9(15-10)7-5-6-8-14/h5-8,14H2,1-4H3
InChIKeyHNCFCSOOHFIRHE-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.92
Rot. Bonds4

About 4-(4,4,6,6-tetramethylfuro[3,4-d][1,3]thiazol-2-yl)butan-1-amine

4-(4,4,6,6-tetramethylfuro[3,4-d][1,3]thiazol-2-yl)butan-1-amine (PubChem CID 79916347) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is 4-(4,4,6,6-tetramethylfuro[3,4-d][1,3]thiazol-2-yl)butan-1-amine.

Molecular Properties

Compound Name4-(4,4,6,6-tetramethylfuro[3,4-d][1,3]thiazol-2-yl)butan-1-amine
PubChem CID79916347
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name4-(4,4,6,6-tetramethylfuro[3,4-d][1,3]thiazol-2-yl)butan-1-amine
SMILESCC1(C)OC(C)(C)c2sc(CCCCN)nc21
InChIInChI=1S/C13H22N2OS/c1-12(2)10-11(13(3,4)16-12)17-9(15-10)7-5-6-8-14/h5-8,14H2,1-4H3
InChIKeyHNCFCSOOHFIRHE-UHFFFAOYSA-N
XLogP2.92
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.92
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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Frequently Asked Questions

What is the IUPAC name of 4-(4,4,6,6-tetramethylfuro[3,4-d][1,3]thiazol-2-yl)butan-1-amine?
The IUPAC name of 4-(4,4,6,6-tetramethylfuro[3,4-d][1,3]thiazol-2-yl)butan-1-amine (CID 79916347) is 4-(4,4,6,6-tetramethylfuro[3,4-d][1,3]thiazol-2-yl)butan-1-amine.
What is the SMILES notation for 4-(4,4,6,6-tetramethylfuro[3,4-d][1,3]thiazol-2-yl)butan-1-amine?
The canonical SMILES for 4-(4,4,6,6-tetramethylfuro[3,4-d][1,3]thiazol-2-yl)butan-1-amine is CC1(C)OC(C)(C)c2sc(CCCCN)nc21.
What is the InChIKey of 4-(4,4,6,6-tetramethylfuro[3,4-d][1,3]thiazol-2-yl)butan-1-amine?
The InChIKey is HNCFCSOOHFIRHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-12(2)10-11(13(3,4)16-12)17-9(15-10)7-5-6-8-14/h5-8,14H2,1-4H3.
What are the key properties of 4-(4,4,6,6-tetramethylfuro[3,4-d][1,3]thiazol-2-yl)butan-1-amine?
4-(4,4,6,6-tetramethylfuro[3,4-d][1,3]thiazol-2-yl)butan-1-amine has a molecular weight of 254.40 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4,6,6-tetramethylfuro[3,4-d][1,3]thiazol-2-yl)butan-1-amine is sourced from PubChem (CID 79916347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).