N-[[2-(1-aminoethyl)-1,3-thiazol-4-yl]methyl]-2,2,3,3-tetrafluoropropan-1-amine

C9H13F4N3S — CID 106293897

IUPACN-[[2-(1-aminoethyl)-1,3-thiazol-4-yl]methyl]-2,2,3,3-tetrafluoropropan-1-amine
SMILESCC(N)c1nc(CNCC(F)(F)C(F)F)cs1
InChIInChI=1S/C9H13F4N3S/c1-5(14)7-16-6(3-17-7)2-15-4-9(12,13)8(10)11/h3,5,8,15H,2,4,14H2,1H3
InChIKeyFQGYQVJRBIUNGJ-UHFFFAOYSA-N
MW271.28 g/mol
LogP2.15
Rot. Bonds6

About N-[[2-(1-aminoethyl)-1,3-thiazol-4-yl]methyl]-2,2,3,3-tetrafluoropropan-1-amine

N-[[2-(1-aminoethyl)-1,3-thiazol-4-yl]methyl]-2,2,3,3-tetrafluoropropan-1-amine (PubChem CID 106293897) has the molecular formula C9H13F4N3S and a molecular weight of 271.28 g/mol. Its IUPAC name is N-[[2-(1-aminoethyl)-1,3-thiazol-4-yl]methyl]-2,2,3,3-tetrafluoropropan-1-amine.

Molecular Properties

Compound NameN-[[2-(1-aminoethyl)-1,3-thiazol-4-yl]methyl]-2,2,3,3-tetrafluoropropan-1-amine
PubChem CID106293897
Molecular FormulaC9H13F4N3S
Molecular Weight271.28 g/mol
Exact Mass271.08
IUPAC NameN-[[2-(1-aminoethyl)-1,3-thiazol-4-yl]methyl]-2,2,3,3-tetrafluoropropan-1-amine
SMILESCC(N)c1nc(CNCC(F)(F)C(F)F)cs1
InChIInChI=1S/C9H13F4N3S/c1-5(14)7-16-6(3-17-7)2-15-4-9(12,13)8(10)11/h3,5,8,15H,2,4,14H2,1H3
InChIKeyFQGYQVJRBIUNGJ-UHFFFAOYSA-N
XLogP2.15
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[(benzylamino)methyl]-1,3-thiazol-2-yl]ethanamine
CID 66388061
(1R)-1-(4-ethyl-1,3-thiazol-2-yl)ethanamine
CID 42077975
1-[4-[(furan-2-ylmethylamino)methyl]-1,3-thiazol-2-yl]ethanamine
CID 66390753
1-[4-[[1-(1,3-thiazol-2-yl)ethylamino]methyl]-1,3-thiazol-2-yl]ethanamine
CID 66385278
(1R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanamine
CID 92669559
2-methyl-1-methylsulfanyl-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]propan-2-ol
CID 111437048
2,5-dimethyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]hexan-2-ol
CID 111449396
2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]acetamide
CID 82547702
2,2,2-trifluoro-N-[[2-(2,2,2-trifluoroethyl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 113461190
2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-methylacetamide
CID 82547688
2,2,3,3-tetrafluoro-N-[(1-methyltriazol-4-yl)methyl]propan-1-amine
CID 103529326
3,3-dimethyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]butan-1-amine
CID 115589645

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-aminoethyl)-1,3-thiazol-4-yl]methyl]-2,2,3,3-tetrafluoropropan-1-amine?
The IUPAC name of N-[[2-(1-aminoethyl)-1,3-thiazol-4-yl]methyl]-2,2,3,3-tetrafluoropropan-1-amine (CID 106293897) is N-[[2-(1-aminoethyl)-1,3-thiazol-4-yl]methyl]-2,2,3,3-tetrafluoropropan-1-amine.
What is the SMILES notation for N-[[2-(1-aminoethyl)-1,3-thiazol-4-yl]methyl]-2,2,3,3-tetrafluoropropan-1-amine?
The canonical SMILES for N-[[2-(1-aminoethyl)-1,3-thiazol-4-yl]methyl]-2,2,3,3-tetrafluoropropan-1-amine is CC(N)c1nc(CNCC(F)(F)C(F)F)cs1.
What is the InChIKey of N-[[2-(1-aminoethyl)-1,3-thiazol-4-yl]methyl]-2,2,3,3-tetrafluoropropan-1-amine?
The InChIKey is FQGYQVJRBIUNGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F4N3S/c1-5(14)7-16-6(3-17-7)2-15-4-9(12,13)8(10)11/h3,5,8,15H,2,4,14H2,1H3.
What are the key properties of N-[[2-(1-aminoethyl)-1,3-thiazol-4-yl]methyl]-2,2,3,3-tetrafluoropropan-1-amine?
N-[[2-(1-aminoethyl)-1,3-thiazol-4-yl]methyl]-2,2,3,3-tetrafluoropropan-1-amine has a molecular weight of 271.28 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-aminoethyl)-1,3-thiazol-4-yl]methyl]-2,2,3,3-tetrafluoropropan-1-amine is sourced from PubChem (CID 106293897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).