N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine

C9H12F4N2S — CID 103529298

IUPACN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine
SMILESCc1nc(C)c(CNCC(F)(F)C(F)F)s1
InChIInChI=1S/C9H12F4N2S/c1-5-7(16-6(2)15-5)3-14-4-9(12,13)8(10)11/h8,14H,3-4H2,1-2H3
InChIKeyUJOSREMDIJITMP-UHFFFAOYSA-N
MW256.27 g/mol
LogP2.75
Rot. Bonds5

About N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine

N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine (PubChem CID 103529298) has the molecular formula C9H12F4N2S and a molecular weight of 256.27 g/mol. Its IUPAC name is N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine.

Molecular Properties

Compound NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine
PubChem CID103529298
Molecular FormulaC9H12F4N2S
Molecular Weight256.27 g/mol
Exact Mass256.07
IUPAC NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine
SMILESCc1nc(C)c(CNCC(F)(F)C(F)F)s1
InChIInChI=1S/C9H12F4N2S/c1-5-7(16-6(2)15-5)3-14-4-9(12,13)8(10)11/h8,14H,3-4H2,1-2H3
InChIKeyUJOSREMDIJITMP-UHFFFAOYSA-N
XLogP2.75
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-ethoxy-2-methylpropan-1-amine
CID 114941217
3-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]-N,2,2-trimethylpropanamide
CID 103824241
1-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 64539742
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pentan-1-amine
CID 64539296
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 64539510
N-[[4-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 103476411
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)methanamine
CID 64540582
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 75496392
N-[(5-ethylthiophen-2-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine
CID 103529513
2,2,3,3-tetrafluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine
CID 106291994
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-methylsulfanylpropan-1-amine
CID 64540795
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2,2-dimethylpentan-3-amine
CID 115640538

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine?
The IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine (CID 103529298) is N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine.
What is the SMILES notation for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine?
The canonical SMILES for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine is Cc1nc(C)c(CNCC(F)(F)C(F)F)s1.
What is the InChIKey of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine?
The InChIKey is UJOSREMDIJITMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F4N2S/c1-5-7(16-6(2)15-5)3-14-4-9(12,13)8(10)11/h8,14H,3-4H2,1-2H3.
What are the key properties of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine?
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine has a molecular weight of 256.27 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine is sourced from PubChem (CID 103529298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).