1-(4-tert-butyl-1,3-thiazol-2-yl)-4-(2,2-difluoroethoxy)butan-2-amine

C13H22F2N2OS — CID 103148831

IUPAC1-(4-tert-butyl-1,3-thiazol-2-yl)-4-(2,2-difluoroethoxy)butan-2-amine
SMILESCC(C)(C)c1csc(CC(N)CCOCC(F)F)n1
InChIInChI=1S/C13H22F2N2OS/c1-13(2,3)10-8-19-12(17-10)6-9(16)4-5-18-7-11(14)15/h8-9,11H,4-7,16H2,1-3H3
InChIKeySIWASMJYWCWPMX-UHFFFAOYSA-N
MW292.39 g/mol
LogP2.98
Rot. Bonds7

About 1-(4-tert-butyl-1,3-thiazol-2-yl)-4-(2,2-difluoroethoxy)butan-2-amine

1-(4-tert-butyl-1,3-thiazol-2-yl)-4-(2,2-difluoroethoxy)butan-2-amine (PubChem CID 103148831) has the molecular formula C13H22F2N2OS and a molecular weight of 292.39 g/mol. Its IUPAC name is 1-(4-tert-butyl-1,3-thiazol-2-yl)-4-(2,2-difluoroethoxy)butan-2-amine.

Molecular Properties

Compound Name1-(4-tert-butyl-1,3-thiazol-2-yl)-4-(2,2-difluoroethoxy)butan-2-amine
PubChem CID103148831
Molecular FormulaC13H22F2N2OS
Molecular Weight292.39 g/mol
Exact Mass292.14
IUPAC Name1-(4-tert-butyl-1,3-thiazol-2-yl)-4-(2,2-difluoroethoxy)butan-2-amine
SMILESCC(C)(C)c1csc(CC(N)CCOCC(F)F)n1
InChIInChI=1S/C13H22F2N2OS/c1-13(2,3)10-8-19-12(17-10)6-9(16)4-5-18-7-11(14)15/h8-9,11H,4-7,16H2,1-3H3
InChIKeySIWASMJYWCWPMX-UHFFFAOYSA-N
XLogP2.98
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 52.98
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 1-(4-tert-butyl-1,3-thiazol-2-yl)-4-(2,2-difluoroethoxy)butan-2-amine?
The IUPAC name of 1-(4-tert-butyl-1,3-thiazol-2-yl)-4-(2,2-difluoroethoxy)butan-2-amine (CID 103148831) is 1-(4-tert-butyl-1,3-thiazol-2-yl)-4-(2,2-difluoroethoxy)butan-2-amine.
What is the SMILES notation for 1-(4-tert-butyl-1,3-thiazol-2-yl)-4-(2,2-difluoroethoxy)butan-2-amine?
The canonical SMILES for 1-(4-tert-butyl-1,3-thiazol-2-yl)-4-(2,2-difluoroethoxy)butan-2-amine is CC(C)(C)c1csc(CC(N)CCOCC(F)F)n1.
What is the InChIKey of 1-(4-tert-butyl-1,3-thiazol-2-yl)-4-(2,2-difluoroethoxy)butan-2-amine?
The InChIKey is SIWASMJYWCWPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F2N2OS/c1-13(2,3)10-8-19-12(17-10)6-9(16)4-5-18-7-11(14)15/h8-9,11H,4-7,16H2,1-3H3.
What are the key properties of 1-(4-tert-butyl-1,3-thiazol-2-yl)-4-(2,2-difluoroethoxy)butan-2-amine?
1-(4-tert-butyl-1,3-thiazol-2-yl)-4-(2,2-difluoroethoxy)butan-2-amine has a molecular weight of 292.39 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butyl-1,3-thiazol-2-yl)-4-(2,2-difluoroethoxy)butan-2-amine is sourced from PubChem (CID 103148831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).