N-[[4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]phenyl]methyl]cyclopropanamine

C14H13F3N2S — CID 106783950

IUPACN-[[4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]phenyl]methyl]cyclopropanamine
SMILESFC(F)(F)c1ncc(-c2ccc(CNC3CC3)cc2)s1
InChIInChI=1S/C14H13F3N2S/c15-14(16,17)13-19-8-12(20-13)10-3-1-9(2-4-10)7-18-11-5-6-11/h1-4,8,11,18H,5-7H2
InChIKeyDILYXQSGTVLORE-UHFFFAOYSA-N
MW298.33 g/mol
LogP4.08
Rot. Bonds4

About N-[[4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]phenyl]methyl]cyclopropanamine

N-[[4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]phenyl]methyl]cyclopropanamine (PubChem CID 106783950) has the molecular formula C14H13F3N2S and a molecular weight of 298.33 g/mol. Its IUPAC name is N-[[4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]phenyl]methyl]cyclopropanamine
PubChem CID106783950
Molecular FormulaC14H13F3N2S
Molecular Weight298.33 g/mol
Exact Mass298.08
IUPAC NameN-[[4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]phenyl]methyl]cyclopropanamine
SMILESFC(F)(F)c1ncc(-c2ccc(CNC3CC3)cc2)s1
InChIInChI=1S/C14H13F3N2S/c15-14(16,17)13-19-8-12(20-13)10-3-1-9(2-4-10)7-18-11-5-6-11/h1-4,8,11,18H,5-7H2
InChIKeyDILYXQSGTVLORE-UHFFFAOYSA-N
XLogP4.08
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-chloro-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]phenyl]methyl]cyclopropanamine
CID 106783947
N-[[5-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 53272742
N-[[4-(trifluoromethyl)phenyl]methyl]cyclopentanamine
CID 4264836
N-[[4-(2,2,2-trifluoroethoxymethoxy)phenyl]methyl]cyclopropanamine
CID 106704511
N-cyclopropyl-5-[(cyclopropylamino)methyl]-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 62283700
N-[[5-(4-bromophenyl)-1,3-thiazol-2-yl]methyl]cyclohexanamine
CID 53272842
N-[[5-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 53272304
N-[[4-(trifluoromethyl)phenyl]methyl]thian-4-amine
CID 60699978
N-[[6-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]methyl]cyclopropanamine
CID 175646894
1-[3-fluoro-5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]phenyl]-N-methylmethanamine
CID 144826203
N-[[4-(trifluoromethyl)phenyl]methyl]thian-3-amine
CID 62880283
N-[[5-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]cyclopentanamine
CID 53271603

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]phenyl]methyl]cyclopropanamine (CID 106783950) is N-[[4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]phenyl]methyl]cyclopropanamine is FC(F)(F)c1ncc(-c2ccc(CNC3CC3)cc2)s1.
What is the InChIKey of N-[[4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]phenyl]methyl]cyclopropanamine?
The InChIKey is DILYXQSGTVLORE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2S/c15-14(16,17)13-19-8-12(20-13)10-3-1-9(2-4-10)7-18-11-5-6-11/h1-4,8,11,18H,5-7H2.
What are the key properties of N-[[4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]phenyl]methyl]cyclopropanamine?
N-[[4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]phenyl]methyl]cyclopropanamine has a molecular weight of 298.33 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 106783950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).