N-[[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine

C9H11F3N2S — CID 61392603

IUPACN-[[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESFC(F)(F)Cc1ncc(CNC2CC2)s1
InChIInChI=1S/C9H11F3N2S/c10-9(11,12)3-8-14-5-7(15-8)4-13-6-1-2-6/h5-6,13H,1-4H2
InChIKeyRHMASBJRMBTEMQ-UHFFFAOYSA-N
MW236.26 g/mol
LogP2.50
Rot. Bonds4

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

N-[[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine (PubChem CID 61392603) has the molecular formula C9H11F3N2S and a molecular weight of 236.26 g/mol. Its IUPAC name is N-[[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
PubChem CID61392603
Molecular FormulaC9H11F3N2S
Molecular Weight236.26 g/mol
Exact Mass236.06
IUPAC NameN-[[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESFC(F)(F)Cc1ncc(CNC2CC2)s1
InChIInChI=1S/C9H11F3N2S/c10-9(11,12)3-8-14-5-7(15-8)4-13-6-1-2-6/h5-6,13H,1-4H2
InChIKeyRHMASBJRMBTEMQ-UHFFFAOYSA-N
XLogP2.50
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2-Ethyl-1,3-thiazol-5-yl)methyl](methyl)amine
CID 50987848
N,2-Dimethyl-5-thiazolemethanamine
CID 20312952
1-[2-(Trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 19046697
(2-Ethyl-1,3-thiazol-5-yl)methanamine
CID 60983127
1-[2-(Trifluoromethyl)-1,3-thiazol-5-yl]ethan-1-amine hydrochloride
CID 122163992
N-[(1,3-thiazol-5-yl)methyl]cyclopropanamine hydrochloride
CID 156592108
1-[2-(Difluoromethyl)-1,3-thiazol-5-yl]methanamine hydrochloride
CID 165691597
1-[2-(Trifluoromethyl)-1,3-thiazol-5-yl]ethan-1-amine
CID 19767930
2-[[2-(Trifluoromethyl)-1,3-thiazol-5-yl]methylamino]ethanethiol
CID 21698294
Cyclopropyl-thiazol-5-ylmethyl-amine
CID 28064153
2,2,2-trifluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 60776622
N'-[(2-fluoro-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine
CID 70457961

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine (CID 61392603) is N-[[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine is FC(F)(F)Cc1ncc(CNC2CC2)s1.
What is the InChIKey of N-[[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The InChIKey is RHMASBJRMBTEMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2S/c10-9(11,12)3-8-14-5-7(15-8)4-13-6-1-2-6/h5-6,13H,1-4H2.
What are the key properties of N-[[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
N-[[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine has a molecular weight of 236.26 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 61392603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).