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

C9H13F3N2OS — CID 103215883

IUPACN-methyl-1-(1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine
SMILESCNC(COCC(F)(F)F)Cc1nccs1
InChIInChI=1S/C9H13F3N2OS/c1-13-7(4-8-14-2-3-16-8)5-15-6-9(10,11)12/h2-3,7,13H,4-6H2,1H3
InChIKeyAKSJHZVYQXKVPL-UHFFFAOYSA-N
MW254.28 g/mol
LogP1.85
Rot. Bonds6

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

N-methyl-1-(1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine (PubChem CID 103215883) has the molecular formula C9H13F3N2OS and a molecular weight of 254.28 g/mol. Its IUPAC name is N-methyl-1-(1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine.

Molecular Properties

Compound NameN-methyl-1-(1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine
PubChem CID103215883
Molecular FormulaC9H13F3N2OS
Molecular Weight254.28 g/mol
Exact Mass254.07
IUPAC NameN-methyl-1-(1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine
SMILESCNC(COCC(F)(F)F)Cc1nccs1
InChIInChI=1S/C9H13F3N2OS/c1-13-7(4-8-14-2-3-16-8)5-15-6-9(10,11)12/h2-3,7,13H,4-6H2,1H3
InChIKeyAKSJHZVYQXKVPL-UHFFFAOYSA-N
XLogP1.85
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 51.85
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
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
N-(2,2-difluoroethyl)-1-(1,3-thiazol-2-yl)propan-1-amine
CID 64481589
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-(2,2,2-trifluoroethyl)propan-1-amine
CID 64482803
3,3,3-trifluoro-N-[1-(1,3-thiazol-2-yl)propyl]propan-1-amine
CID 64553369
1-(1,3-thiazol-2-yl)-N-[2-(trifluoromethoxy)ethyl]propan-1-amine
CID 65803858

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine?
The IUPAC name of N-methyl-1-(1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine (CID 103215883) is N-methyl-1-(1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine.
What is the SMILES notation for N-methyl-1-(1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine?
The canonical SMILES for N-methyl-1-(1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine is CNC(COCC(F)(F)F)Cc1nccs1.
What is the InChIKey of N-methyl-1-(1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine?
The InChIKey is AKSJHZVYQXKVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2OS/c1-13-7(4-8-14-2-3-16-8)5-15-6-9(10,11)12/h2-3,7,13H,4-6H2,1H3.
What are the key properties of N-methyl-1-(1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine?
N-methyl-1-(1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine has a molecular weight of 254.28 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine is sourced from PubChem (CID 103215883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).