3,3,3-trifluoro-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-1-amine

C10H15F3N2S — CID 115694089

IUPAC3,3,3-trifluoro-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-1-amine
SMILESCC(C)c1ncc(CNCCC(F)(F)F)s1
InChIInChI=1S/C10H15F3N2S/c1-7(2)9-15-6-8(16-9)5-14-4-3-10(11,12)13/h6-7,14H,3-5H2,1-2H3
InChIKeyALYXKJAWKIAPLE-UHFFFAOYSA-N
MW252.30 g/mol
LogP3.31
Rot. Bonds5

About 3,3,3-trifluoro-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-1-amine

3,3,3-trifluoro-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-1-amine (PubChem CID 115694089) has the molecular formula C10H15F3N2S and a molecular weight of 252.30 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-1-amine
PubChem CID115694089
Molecular FormulaC10H15F3N2S
Molecular Weight252.30 g/mol
Exact Mass252.09
IUPAC Name3,3,3-trifluoro-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-1-amine
SMILESCC(C)c1ncc(CNCCC(F)(F)F)s1
InChIInChI=1S/C10H15F3N2S/c1-7(2)9-15-6-8(16-9)5-14-4-3-10(11,12)13/h6-7,14H,3-5H2,1-2H3
InChIKeyALYXKJAWKIAPLE-UHFFFAOYSA-N
XLogP3.31
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 53.31
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

N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 61282504
3-ethoxy-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 115693948
2,2-dimethyl-3-[(2-propan-2-yl-1,3-thiazol-5-yl)methylamino]propanenitrile
CID 104587228
N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-3,3,3-trifluoropropan-1-amine
CID 115699018
1-(1,2-oxazol-3-yl)-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]methanamine
CID 115694095
(2R)-2-[(2-propan-2-yl-1,3-thiazol-5-yl)methylamino]propan-1-ol
CID 103757495
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-5,5,5-trifluoropentan-1-amine
CID 115491448
1-ethylsulfanyl-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-2-amine
CID 115694090
3-methyl-1-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butane-1,3-diamine
CID 64677698
N-[(2-butan-2-yl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine
CID 63717618
N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-3,3-dimethylbutan-1-amine
CID 115698880
3,3,3-trifluoro-N-(pyrimidin-2-ylmethyl)propan-1-amine
CID 63226377

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-1-amine (CID 115694089) is 3,3,3-trifluoro-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-1-amine is CC(C)c1ncc(CNCCC(F)(F)F)s1.
What is the InChIKey of 3,3,3-trifluoro-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-1-amine?
The InChIKey is ALYXKJAWKIAPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2S/c1-7(2)9-15-6-8(16-9)5-14-4-3-10(11,12)13/h6-7,14H,3-5H2,1-2H3.
What are the key properties of 3,3,3-trifluoro-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-1-amine?
3,3,3-trifluoro-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-1-amine has a molecular weight of 252.30 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-1-amine is sourced from PubChem (CID 115694089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).