[4-cyclopropyl-2-[4-fluoro-2-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanamine

C14H12F4N2S — CID 114361920

IUPAC[4-cyclopropyl-2-[4-fluoro-2-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanamine
SMILESNCc1sc(-c2ccc(F)cc2C(F)(F)F)nc1C1CC1
InChIInChI=1S/C14H12F4N2S/c15-8-3-4-9(10(5-8)14(16,17)18)13-20-12(7-1-2-7)11(6-19)21-13/h3-5,7H,1-2,6,19H2
InChIKeyHVBNGOWPFAWMTD-UHFFFAOYSA-N
MW316.32 g/mol
LogP4.30
Rot. Bonds3

About [4-cyclopropyl-2-[4-fluoro-2-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanamine

[4-cyclopropyl-2-[4-fluoro-2-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanamine (PubChem CID 114361920) has the molecular formula C14H12F4N2S and a molecular weight of 316.32 g/mol. Its IUPAC name is [4-cyclopropyl-2-[4-fluoro-2-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[4-cyclopropyl-2-[4-fluoro-2-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanamine
PubChem CID114361920
Molecular FormulaC14H12F4N2S
Molecular Weight316.32 g/mol
Exact Mass316.07
IUPAC Name[4-cyclopropyl-2-[4-fluoro-2-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanamine
SMILESNCc1sc(-c2ccc(F)cc2C(F)(F)F)nc1C1CC1
InChIInChI=1S/C14H12F4N2S/c15-8-3-4-9(10(5-8)14(16,17)18)13-20-12(7-1-2-7)11(6-19)21-13/h3-5,7H,1-2,6,19H2
InChIKeyHVBNGOWPFAWMTD-UHFFFAOYSA-N
XLogP4.30
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-cyclopropyl-2-(3-fluoro-5-methylphenyl)-1,3-thiazol-5-yl]methanamine
CID 114361984
[4-cyclopropyl-2-(2-ethoxyphenyl)-1,3-thiazol-5-yl]methanamine
CID 82437246
(4-cyclopropyl-2-pyridin-4-yl-1,3-thiazol-5-yl)methanamine
CID 82436375
[4-cyclopropyl-2-(2,3-dimethoxyphenyl)-1,3-thiazol-5-yl]methanamine
CID 82437353
(1S,5S)-3-[2-[4-chloro-2-(trifluoromethyl)phenyl]-5-methyl-1,3-thiazol-4-yl]bicyclo[3.2.1]octane-2,4-dione
CID 88579663
(4-cyclopropyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methanamine
CID 82436315
(4-cyclopropyl-2-thieno[3,2-b]pyridin-6-yl-1,3-thiazol-5-yl)methanamine
CID 114361944
[4-cyclopropyl-2-(2-phenylpropan-2-yl)-1,3-thiazol-5-yl]methanamine
CID 114361923
1-[4-cyclopropyl-2-(2-fluoro-5-methylphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 107932051
3-bromo-5-[4-fluoro-2-(trifluoromethyl)phenyl]-1,2,4-thiadiazole
CID 155681917
6-cyclopropyl-2-[4-fluoro-2-(trifluoromethyl)phenyl]-1H-pyrimidine-4-thione
CID 106478585
4-cyclopropyl-5-[(5-fluoro-2-methylphenyl)methyl]-1,3-thiazol-2-amine
CID 62066656

Frequently Asked Questions

What is the IUPAC name of [4-cyclopropyl-2-[4-fluoro-2-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [4-cyclopropyl-2-[4-fluoro-2-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanamine (CID 114361920) is [4-cyclopropyl-2-[4-fluoro-2-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [4-cyclopropyl-2-[4-fluoro-2-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [4-cyclopropyl-2-[4-fluoro-2-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanamine is NCc1sc(-c2ccc(F)cc2C(F)(F)F)nc1C1CC1.
What is the InChIKey of [4-cyclopropyl-2-[4-fluoro-2-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanamine?
The InChIKey is HVBNGOWPFAWMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F4N2S/c15-8-3-4-9(10(5-8)14(16,17)18)13-20-12(7-1-2-7)11(6-19)21-13/h3-5,7H,1-2,6,19H2.
What are the key properties of [4-cyclopropyl-2-[4-fluoro-2-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanamine?
[4-cyclopropyl-2-[4-fluoro-2-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanamine has a molecular weight of 316.32 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-cyclopropyl-2-[4-fluoro-2-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 114361920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).