5-[[cyclobutylmethyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazol-2-amine

C11H16F3N3S — CID 120901635

IUPAC5-[[cyclobutylmethyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazol-2-amine
SMILESNc1ncc(CN(CC2CCC2)CC(F)(F)F)s1
InChIInChI=1S/C11H16F3N3S/c12-11(13,14)7-17(5-8-2-1-3-8)6-9-4-16-10(15)18-9/h4,8H,1-3,5-7H2,(H2,15,16)
InChIKeyBKJLKLVOKRSEMH-UHFFFAOYSA-N
MW279.33 g/mol
LogP2.89
Rot. Bonds5

About 5-[[cyclobutylmethyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazol-2-amine

5-[[cyclobutylmethyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazol-2-amine (PubChem CID 120901635) has the molecular formula C11H16F3N3S and a molecular weight of 279.33 g/mol. Its IUPAC name is 5-[[cyclobutylmethyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[[cyclobutylmethyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazol-2-amine
PubChem CID120901635
Molecular FormulaC11H16F3N3S
Molecular Weight279.33 g/mol
Exact Mass279.10
IUPAC Name5-[[cyclobutylmethyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazol-2-amine
SMILESNc1ncc(CN(CC2CCC2)CC(F)(F)F)s1
InChIInChI=1S/C11H16F3N3S/c12-11(13,14)7-17(5-8-2-1-3-8)6-9-4-16-10(15)18-9/h4,8H,1-3,5-7H2,(H2,15,16)
InChIKeyBKJLKLVOKRSEMH-UHFFFAOYSA-N
XLogP2.89
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.33
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[cyclohexylmethyl(propyl)amino]methyl]-1,3-thiazol-2-amine
CID 120899012
5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazol-2-amine
CID 79772688
5-[[2,2,2-trifluoroethyl(3,3,3-trifluoropropyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120905607
5-[[2-methylpropyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120898883
5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazol-2-amine
CID 79771928
5-[[cyclobutylmethyl(ethyl)amino]methyl]-N-propyl-1,3-thiazol-2-amine
CID 107401418
5-[[cyclopropylmethyl-[(2,4-dimethoxyphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120904564
2-[(2-amino-1,3-thiazol-5-yl)methyl-cyclopentylamino]ethanol
CID 79771274
5-[2-(oxan-4-yl)ethyl]-1,3-thiazol-2-amine
CID 130664722
5-[[cyclopropyl(propyl)amino]methyl]-1,3-thiazol-2-amine
CID 79772205
N-(2-chloroethyl)-N-(cyclobutylmethyl)-2,2,2-trifluoroethanamine
CID 107489173
5-[[2,2-dimethylpropyl(2-methylpropyl)amino]methyl]-1,3-thiazol-2-amine
CID 120901430

Frequently Asked Questions

What is the IUPAC name of 5-[[cyclobutylmethyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[[cyclobutylmethyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazol-2-amine (CID 120901635) is 5-[[cyclobutylmethyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[[cyclobutylmethyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[[cyclobutylmethyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazol-2-amine is Nc1ncc(CN(CC2CCC2)CC(F)(F)F)s1.
What is the InChIKey of 5-[[cyclobutylmethyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazol-2-amine?
The InChIKey is BKJLKLVOKRSEMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3S/c12-11(13,14)7-17(5-8-2-1-3-8)6-9-4-16-10(15)18-9/h4,8H,1-3,5-7H2,(H2,15,16).
What are the key properties of 5-[[cyclobutylmethyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazol-2-amine?
5-[[cyclobutylmethyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazol-2-amine has a molecular weight of 279.33 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[cyclobutylmethyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 120901635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).