N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-5,5,5-trifluoropentan-1-amine

C13H21F3N2S — CID 115491448

IUPACN-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-5,5,5-trifluoropentan-1-amine
SMILESCC(C)(C)c1ncc(CNCCCCC(F)(F)F)s1
InChIInChI=1S/C13H21F3N2S/c1-12(2,3)11-18-9-10(19-11)8-17-7-5-4-6-13(14,15)16/h9,17H,4-8H2,1-3H3
InChIKeySKWLWFHXVMHISE-UHFFFAOYSA-N
MW294.39 g/mol
LogP4.26
Rot. Bonds6

About N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-5,5,5-trifluoropentan-1-amine

N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-5,5,5-trifluoropentan-1-amine (PubChem CID 115491448) has the molecular formula C13H21F3N2S and a molecular weight of 294.39 g/mol. Its IUPAC name is N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-5,5,5-trifluoropentan-1-amine.

Molecular Properties

Compound NameN-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-5,5,5-trifluoropentan-1-amine
PubChem CID115491448
Molecular FormulaC13H21F3N2S
Molecular Weight294.39 g/mol
Exact Mass294.14
IUPAC NameN-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-5,5,5-trifluoropentan-1-amine
SMILESCC(C)(C)c1ncc(CNCCCCC(F)(F)F)s1
InChIInChI=1S/C13H21F3N2S/c1-12(2,3)11-18-9-10(19-11)8-17-7-5-4-6-13(14,15)16/h9,17H,4-8H2,1-3H3
InChIKeySKWLWFHXVMHISE-UHFFFAOYSA-N
XLogP4.26
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]propoxy]ethanol
CID 103992620
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-ethylsulfonylethanamine
CID 103642971
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-3-pyrazol-1-ylpropan-1-amine
CID 115593187
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 106396411
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-methyl-2-methylsulfanylpropan-1-amine
CID 115664449
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904081
3-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-1,1-difluoropropan-2-ol
CID 103731562
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-pyridin-4-ylmethanamine
CID 63032797
1-(5-bromothiophen-2-yl)-N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]methanamine
CID 55138618
2-but-3-enoxy-N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 103854496
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 62923091
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-N',N',2,2-tetramethylpropane-1,3-diamine
CID 55137613

Frequently Asked Questions

What is the IUPAC name of N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-5,5,5-trifluoropentan-1-amine?
The IUPAC name of N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-5,5,5-trifluoropentan-1-amine (CID 115491448) is N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-5,5,5-trifluoropentan-1-amine.
What is the SMILES notation for N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-5,5,5-trifluoropentan-1-amine?
The canonical SMILES for N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-5,5,5-trifluoropentan-1-amine is CC(C)(C)c1ncc(CNCCCCC(F)(F)F)s1.
What is the InChIKey of N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-5,5,5-trifluoropentan-1-amine?
The InChIKey is SKWLWFHXVMHISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2S/c1-12(2,3)11-18-9-10(19-11)8-17-7-5-4-6-13(14,15)16/h9,17H,4-8H2,1-3H3.
What are the key properties of N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-5,5,5-trifluoropentan-1-amine?
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-5,5,5-trifluoropentan-1-amine has a molecular weight of 294.39 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-5,5,5-trifluoropentan-1-amine is sourced from PubChem (CID 115491448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).