1-cyclobutyl-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine

C10H13F3N2S — CID 106783272

IUPAC1-cyclobutyl-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
SMILESCNC(c1cnc(C(F)(F)F)s1)C1CCC1
InChIInChI=1S/C10H13F3N2S/c1-14-8(6-3-2-4-6)7-5-15-9(16-7)10(11,12)13/h5-6,8,14H,2-4H2,1H3
InChIKeyQRWVYQBLJVAIIE-UHFFFAOYSA-N
MW250.29 g/mol
LogP3.22
Rot. Bonds3

About 1-cyclobutyl-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine

1-cyclobutyl-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine (PubChem CID 106783272) has the molecular formula C10H13F3N2S and a molecular weight of 250.29 g/mol. Its IUPAC name is 1-cyclobutyl-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name1-cyclobutyl-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
PubChem CID106783272
Molecular FormulaC10H13F3N2S
Molecular Weight250.29 g/mol
Exact Mass250.08
IUPAC Name1-cyclobutyl-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
SMILESCNC(c1cnc(C(F)(F)F)s1)C1CCC1
InChIInChI=1S/C10H13F3N2S/c1-14-8(6-3-2-4-6)7-5-15-9(16-7)10(11,12)13/h5-6,8,14H,2-4H2,1H3
InChIKeyQRWVYQBLJVAIIE-UHFFFAOYSA-N
XLogP3.22
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of 1-cyclobutyl-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine (CID 106783272) is 1-cyclobutyl-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for 1-cyclobutyl-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for 1-cyclobutyl-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine is CNC(c1cnc(C(F)(F)F)s1)C1CCC1.
What is the InChIKey of 1-cyclobutyl-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is QRWVYQBLJVAIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2S/c1-14-8(6-3-2-4-6)7-5-15-9(16-7)10(11,12)13/h5-6,8,14H,2-4H2,1H3.
What are the key properties of 1-cyclobutyl-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
1-cyclobutyl-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 250.29 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 106783272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).