N-[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]cyclopropanamine

C9H11F3N2S — CID 106784074

IUPACN-[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]cyclopropanamine
SMILESFC(F)(F)c1ncc(CCNC2CC2)s1
InChIInChI=1S/C9H11F3N2S/c10-9(11,12)8-14-5-7(15-8)3-4-13-6-1-2-6/h5-6,13H,1-4H2
InChIKeyDHHKINDSNMSFCB-UHFFFAOYSA-N
MW236.26 g/mol
LogP2.46
Rot. Bonds4

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

N-[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]cyclopropanamine (PubChem CID 106784074) has the molecular formula C9H11F3N2S and a molecular weight of 236.26 g/mol. Its IUPAC name is N-[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]cyclopropanamine
PubChem CID106784074
Molecular FormulaC9H11F3N2S
Molecular Weight236.26 g/mol
Exact Mass236.06
IUPAC NameN-[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]cyclopropanamine
SMILESFC(F)(F)c1ncc(CCNC2CC2)s1
InChIInChI=1S/C9H11F3N2S/c10-9(11,12)8-14-5-7(15-8)3-4-13-6-1-2-6/h5-6,13H,1-4H2
InChIKeyDHHKINDSNMSFCB-UHFFFAOYSA-N
XLogP2.46
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 ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-Ethyl-1,3-thiazol-2-yl)ethan-1-amine
CID 24274393
1-(2-Methyl-1,3-thiazol-5-yl)ethan-1-amine
CID 24278428
2-(2-Methyl-1,3-thiazol-5-yl)ethan-1-amine
CID 53719096
1-(5-Ethyl-1,3-thiazol-2-yl)ethan-1-amine
CID 24274392
1-[2-(Trifluoromethyl)-1,3-thiazol-5-yl]ethan-1-amine hydrochloride
CID 122163992
2-(1,3-Thiazol-5-yl)ethan-1-amine
CID 28948322
1-[2-(Trifluoromethyl)-1,3-thiazol-5-yl]ethan-1-amine
CID 19767930
5-Ethyl-2-(trifluoromethyl)thiazole
CID 70315826
1-[5-(Trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine
CID 89734169
5-Ethyl-2-(2,2,2-trifluoroethyl)-1,3-thiazole
CID 104469754
(1R)-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine
CID 118931355
(R)-1-(2-(Trifluoromethyl)thiazol-5-yl)ethan-1-amine
CID 124585017

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]cyclopropanamine?
The IUPAC name of N-[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]cyclopropanamine (CID 106784074) is N-[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]cyclopropanamine?
The canonical SMILES for N-[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]cyclopropanamine is FC(F)(F)c1ncc(CCNC2CC2)s1.
What is the InChIKey of N-[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]cyclopropanamine?
The InChIKey is DHHKINDSNMSFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2S/c10-9(11,12)8-14-5-7(15-8)3-4-13-6-1-2-6/h5-6,13H,1-4H2.
What are the key properties of N-[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]cyclopropanamine?
N-[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]cyclopropanamine has a molecular weight of 236.26 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]cyclopropanamine is sourced from PubChem (CID 106784074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).