N,2-dimethyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine

C10H15F3N2S — CID 106784524

IUPACN,2-dimethyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine
SMILESCNCC(C)C(C)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C10H15F3N2S/c1-6(4-14-3)7(2)8-5-15-9(16-8)10(11,12)13/h5-7,14H,4H2,1-3H3
InChIKeySBHHUUZNVBBSPM-UHFFFAOYSA-N
MW252.31 g/mol
LogP3.12
Rot. Bonds4

About N,2-dimethyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine

N,2-dimethyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine (PubChem CID 106784524) has the molecular formula C10H15F3N2S and a molecular weight of 252.31 g/mol. Its IUPAC name is N,2-dimethyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine
PubChem CID106784524
Molecular FormulaC10H15F3N2S
Molecular Weight252.31 g/mol
Exact Mass252.09
IUPAC NameN,2-dimethyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine
SMILESCNCC(C)C(C)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C10H15F3N2S/c1-6(4-14-3)7(2)8-5-15-9(16-8)10(11,12)13/h5-7,14H,4H2,1-3H3
InChIKeySBHHUUZNVBBSPM-UHFFFAOYSA-N
XLogP3.12
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1,3-Thiazol-5-yl)piperidine dihydrochloride
CID 126810939
5-Propan-2-yl-2-(trifluoromethyl)-1,3-thiazole
CID 57698657
5-(2,2-Dimethylpropyl)-2-fluoro-1,3-thiazole
CID 59623658
5-(3,3-Dimethylbutan-2-yl)-2-fluoro-1,3-thiazole
CID 59623676
2-(1,1-Difluoroethyl)-5-propan-2-yl-1,3-thiazole
CID 66804063
5-(2-Methylpropyl)-2-(trifluoromethyl)-1,3-thiazole
CID 68055880
5-(Piperidin-4-yl)thiazole
CID 82413083
2-[(2-Ethyl-1,3-thiazol-5-yl)methyl]-2-(3,3,3-trifluoropropyl)propanedinitrile
CID 89006175
2-[(2-Methyl-1,3-thiazol-5-yl)methyl]-2-(3,3,3-trifluoropropyl)propanedinitrile
CID 89006225
2-[(2-Tert-butyl-1,3-thiazol-5-yl)methyl]-2-(3,3,3-trifluoropropyl)propanedinitrile
CID 89006361
5-Propan-2-yl-2-(2,2,2-trifluoroethyl)-1,3-thiazole
CID 104469986
5-(2,2-Dimethylpropyl)-2-(trifluoromethyl)-1,3-thiazole
CID 118516102

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine?
The IUPAC name of N,2-dimethyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine (CID 106784524) is N,2-dimethyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine.
What is the SMILES notation for N,2-dimethyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine?
The canonical SMILES for N,2-dimethyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine is CNCC(C)C(C)c1cnc(C(F)(F)F)s1.
What is the InChIKey of N,2-dimethyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine?
The InChIKey is SBHHUUZNVBBSPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2S/c1-6(4-14-3)7(2)8-5-15-9(16-8)10(11,12)13/h5-7,14H,4H2,1-3H3.
What are the key properties of N,2-dimethyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine?
N,2-dimethyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine has a molecular weight of 252.31 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine is sourced from PubChem (CID 106784524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).