N-propyl-1-(1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine

C11H17F3N2OS — CID 103215885

IUPACN-propyl-1-(1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine
SMILESCCCNC(COCC(F)(F)F)Cc1nccs1
InChIInChI=1S/C11H17F3N2OS/c1-2-3-15-9(6-10-16-4-5-18-10)7-17-8-11(12,13)14/h4-5,9,15H,2-3,6-8H2,1H3
InChIKeyRFKQVFUVDPGHMT-UHFFFAOYSA-N
MW282.33 g/mol
LogP2.63
Rot. Bonds8

About N-propyl-1-(1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine

N-propyl-1-(1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine (PubChem CID 103215885) has the molecular formula C11H17F3N2OS and a molecular weight of 282.33 g/mol. Its IUPAC name is N-propyl-1-(1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine.

Molecular Properties

Compound NameN-propyl-1-(1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine
PubChem CID103215885
Molecular FormulaC11H17F3N2OS
Molecular Weight282.33 g/mol
Exact Mass282.10
IUPAC NameN-propyl-1-(1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine
SMILESCCCNC(COCC(F)(F)F)Cc1nccs1
InChIInChI=1S/C11H17F3N2OS/c1-2-3-15-9(6-10-16-4-5-18-10)7-17-8-11(12,13)14/h4-5,9,15H,2-3,6-8H2,1H3
InChIKeyRFKQVFUVDPGHMT-UHFFFAOYSA-N
XLogP2.63
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5S)-5-(1,3-thiazol-2-yl)-2-[2-(trifluoromethoxy)ethyl]-1,2,6-thiadiazinane 1,1-dioxide
CID 146619293
(2R,3R)-3-methoxy-1-(1,3-thiazol-2-yl)pentan-2-amine;2,2,2-trifluoroacetic acid
CID 161244950
N-(1,3-thiazol-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 61490393
1,1,1-Trifluoro-3-[1-(1,3-thiazol-2-yl)propylamino]propan-2-ol
CID 64480579
N-[1-(1,3-thiazol-2-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 64480833
1-(1,3-thiazol-2-yl)-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-1-amine
CID 64481599
1-(1,3-thiazol-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 64481834
1-(1,3-thiazol-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
CID 64482001
1,1,1-Trifluoro-3-[1-(1,3-thiazol-2-yl)ethylamino]propan-2-ol
CID 64482622
1-(1,3-thiazol-2-yl)-N-[2-(trifluoromethoxy)ethyl]propan-1-amine
CID 65803858
1-(1,3-thiazol-2-yl)-N-[2-(trifluoromethoxy)ethyl]ethanamine
CID 65803859
N'-[1-(1,3-thiazol-2-yl)propyl]-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 79261632

Frequently Asked Questions

What is the IUPAC name of N-propyl-1-(1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine?
The IUPAC name of N-propyl-1-(1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine (CID 103215885) is N-propyl-1-(1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine.
What is the SMILES notation for N-propyl-1-(1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine?
The canonical SMILES for N-propyl-1-(1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine is CCCNC(COCC(F)(F)F)Cc1nccs1.
What is the InChIKey of N-propyl-1-(1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine?
The InChIKey is RFKQVFUVDPGHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2OS/c1-2-3-15-9(6-10-16-4-5-18-10)7-17-8-11(12,13)14/h4-5,9,15H,2-3,6-8H2,1H3.
What are the key properties of N-propyl-1-(1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine?
N-propyl-1-(1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine has a molecular weight of 282.33 g/mol, XLogP of 2.63, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1-(1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine is sourced from PubChem (CID 103215885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).