N-(cyclobutylmethyl)-2,2,2-trifluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine

C12H17F3N2S — CID 167974233

IUPACN-(cyclobutylmethyl)-2,2,2-trifluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine
SMILESCc1ncc(CN(CC2CCC2)CC(F)(F)F)s1
InChIInChI=1S/C12H17F3N2S/c1-9-16-5-11(18-9)7-17(8-12(13,14)15)6-10-3-2-4-10/h5,10H,2-4,6-8H2,1H3
InChIKeyUJAAPUDNKKKQDU-UHFFFAOYSA-N
MW278.34 g/mol
LogP3.62
Rot. Bonds5

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

N-(cyclobutylmethyl)-2,2,2-trifluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine (PubChem CID 167974233) has the molecular formula C12H17F3N2S and a molecular weight of 278.34 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-2,2,2-trifluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-2,2,2-trifluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine
PubChem CID167974233
Molecular FormulaC12H17F3N2S
Molecular Weight278.34 g/mol
Exact Mass278.11
IUPAC NameN-(cyclobutylmethyl)-2,2,2-trifluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine
SMILESCc1ncc(CN(CC2CCC2)CC(F)(F)F)s1
InChIInChI=1S/C12H17F3N2S/c1-9-16-5-11(18-9)7-17(8-12(13,14)15)6-10-3-2-4-10/h5,10H,2-4,6-8H2,1H3
InChIKeyUJAAPUDNKKKQDU-UHFFFAOYSA-N
XLogP3.62
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-2,2,2-trifluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine?
The IUPAC name of N-(cyclobutylmethyl)-2,2,2-trifluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine (CID 167974233) is N-(cyclobutylmethyl)-2,2,2-trifluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine.
What is the SMILES notation for N-(cyclobutylmethyl)-2,2,2-trifluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine?
The canonical SMILES for N-(cyclobutylmethyl)-2,2,2-trifluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine is Cc1ncc(CN(CC2CCC2)CC(F)(F)F)s1.
What is the InChIKey of N-(cyclobutylmethyl)-2,2,2-trifluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine?
The InChIKey is UJAAPUDNKKKQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2S/c1-9-16-5-11(18-9)7-17(8-12(13,14)15)6-10-3-2-4-10/h5,10H,2-4,6-8H2,1H3.
What are the key properties of N-(cyclobutylmethyl)-2,2,2-trifluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine?
N-(cyclobutylmethyl)-2,2,2-trifluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine has a molecular weight of 278.34 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-2,2,2-trifluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 167974233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).