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

C9H11F3N2S — CID 106783271

IUPACcyclobutyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
SMILESNC(c1cnc(C(F)(F)F)s1)C1CCC1
InChIInChI=1S/C9H11F3N2S/c10-9(11,12)8-14-4-6(15-8)7(13)5-2-1-3-5/h4-5,7H,1-3,13H2
InChIKeyJCKDYMJRVDPMIM-UHFFFAOYSA-N
MW236.26 g/mol
LogP2.96
Rot. Bonds2

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

cyclobutyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine (PubChem CID 106783271) has the molecular formula C9H11F3N2S and a molecular weight of 236.26 g/mol. Its IUPAC name is cyclobutyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Namecyclobutyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
PubChem CID106783271
Molecular FormulaC9H11F3N2S
Molecular Weight236.26 g/mol
Exact Mass236.06
IUPAC Namecyclobutyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
SMILESNC(c1cnc(C(F)(F)F)s1)C1CCC1
InChIInChI=1S/C9H11F3N2S/c10-9(11,12)8-14-4-6(15-8)7(13)5-2-1-3-5/h4-5,7H,1-3,13H2
InChIKeyJCKDYMJRVDPMIM-UHFFFAOYSA-N
XLogP2.96
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-Methylpropyl)-2-(trifluoromethyl)-1,3-thiazole
CID 68055880
1-Methyl-2-(1,3-thiazol-5-yl)-2-(trifluoromethyl)piperidin-4-amine
CID 117721481
1-Methyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]piperidin-4-amine
CID 117721483
2-(2-Cyclobutyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethanamine
CID 118303018
1-[2-[(Z)-1-(2,2,2-trifluoroethylideneamino)pent-1-en-3-yl]-1,3-thiazol-5-yl]ethanamine
CID 130390733
5-Butan-2-yl-2-(trifluoromethyl)-1,3-thiazole
CID 144868136
4-[2-(Difluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-amine
CID 146435255
5-Nonan-3-yl-2-(trifluoromethyl)-1,3-thiazole
CID 146558774
5-Octan-2-yl-2-(trifluoromethyl)-1,3-thiazole
CID 167185113
(2E)-3-cyclobutyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]penta-2,4-dien-2-amine
CID 169169287
5-(1,1-Difluoro-2-methylbutyl)-2-methyl-1,3-thiazole
CID 170423974
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 54883385

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of cyclobutyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine (CID 106783271) is cyclobutyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for cyclobutyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for cyclobutyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine is NC(c1cnc(C(F)(F)F)s1)C1CCC1.
What is the InChIKey of cyclobutyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is JCKDYMJRVDPMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2S/c10-9(11,12)8-14-4-6(15-8)7(13)5-2-1-3-5/h4-5,7H,1-3,13H2.
What are the key properties of cyclobutyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
cyclobutyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 236.26 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 106783271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).