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

C14H12ClF3N2S — CID 106783947

IUPACN-[[4-chloro-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]phenyl]methyl]cyclopropanamine
SMILESFC(F)(F)c1ncc(-c2cc(Cl)ccc2CNC2CC2)s1
InChIInChI=1S/C14H12ClF3N2S/c15-9-2-1-8(6-19-10-3-4-10)11(5-9)12-7-20-13(21-12)14(16,17)18/h1-2,5,7,10,19H,3-4,6H2
InChIKeyOKVFIRODTORKBB-UHFFFAOYSA-N
MW332.78 g/mol
LogP4.73
Rot. Bonds4

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

N-[[4-chloro-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]phenyl]methyl]cyclopropanamine (PubChem CID 106783947) has the molecular formula C14H12ClF3N2S and a molecular weight of 332.78 g/mol. Its IUPAC name is N-[[4-chloro-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-chloro-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]phenyl]methyl]cyclopropanamine
PubChem CID106783947
Molecular FormulaC14H12ClF3N2S
Molecular Weight332.78 g/mol
Exact Mass332.04
IUPAC NameN-[[4-chloro-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]phenyl]methyl]cyclopropanamine
SMILESFC(F)(F)c1ncc(-c2cc(Cl)ccc2CNC2CC2)s1
InChIInChI=1S/C14H12ClF3N2S/c15-9-2-1-8(6-19-10-3-4-10)11(5-9)12-7-20-13(21-12)14(16,17)18/h1-2,5,7,10,19H,3-4,6H2
InChIKeyOKVFIRODTORKBB-UHFFFAOYSA-N
XLogP4.73
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.78
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-chloro-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]phenyl]-N-methylmethanamine
CID 106784013
N-[[4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]phenyl]methyl]cyclopropanamine
CID 106783950
N-[[2-(4-chloro-2-fluorophenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 55181747
N-[[2-[(5-bromo-2-pyridinyl)sulfanyl]-4-chlorophenyl]methyl]cyclopropanamine
CID 114864888
N-[[5-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]cyclopentanamine
CID 53271603
N-[[5-chloro-2-(2-methylpropyl)phenyl]methyl]cyclopropanamine
CID 66161100
5-[(cyclopropylamino)methyl]-N-(2,4-dichlorophenyl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 11717781
N-[(5-chloro-2-pyrimidin-5-ylphenyl)methyl]cyclopropanamine
CID 66160891
N-[[5-chloro-2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]cyclopropanamine
CID 114854449
[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]phenyl]methanamine
CID 106783883
N-[[2-(4-bromopyrazol-1-yl)-4-chlorophenyl]methyl]cyclopropanamine
CID 114854335
N-[[5-chloro-2-[(5-ethyl-2-pyridinyl)methyl]phenyl]methyl]cyclopropanamine
CID 79723423

Frequently Asked Questions

What is the IUPAC name of N-[[4-chloro-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-chloro-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]phenyl]methyl]cyclopropanamine (CID 106783947) is N-[[4-chloro-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-chloro-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-chloro-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]phenyl]methyl]cyclopropanamine is FC(F)(F)c1ncc(-c2cc(Cl)ccc2CNC2CC2)s1.
What is the InChIKey of N-[[4-chloro-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]phenyl]methyl]cyclopropanamine?
The InChIKey is OKVFIRODTORKBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF3N2S/c15-9-2-1-8(6-19-10-3-4-10)11(5-9)12-7-20-13(21-12)14(16,17)18/h1-2,5,7,10,19H,3-4,6H2.
What are the key properties of N-[[4-chloro-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]phenyl]methyl]cyclopropanamine?
N-[[4-chloro-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]phenyl]methyl]cyclopropanamine has a molecular weight of 332.78 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-chloro-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 106783947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).