[4-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]methanamine

C7H9F3N2OS — CID 62445219

IUPAC[4-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]methanamine
SMILESNCc1nc(COCC(F)(F)F)cs1
InChIInChI=1S/C7H9F3N2OS/c8-7(9,10)4-13-2-5-3-14-6(1-11)12-5/h3H,1-2,4,11H2
InChIKeyYJSZBZAMFPVRCZ-UHFFFAOYSA-N
MW226.22 g/mol
LogP1.68
Rot. Bonds4

About [4-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]methanamine

[4-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]methanamine (PubChem CID 62445219) has the molecular formula C7H9F3N2OS and a molecular weight of 226.22 g/mol. Its IUPAC name is [4-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]methanamine.

Molecular Properties

Compound Name[4-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]methanamine
PubChem CID62445219
Molecular FormulaC7H9F3N2OS
Molecular Weight226.22 g/mol
Exact Mass226.04
IUPAC Name[4-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]methanamine
SMILESNCc1nc(COCC(F)(F)F)cs1
InChIInChI=1S/C7H9F3N2OS/c8-7(9,10)4-13-2-5-3-14-6(1-11)12-5/h3H,1-2,4,11H2
InChIKeyYJSZBZAMFPVRCZ-UHFFFAOYSA-N
XLogP1.68
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.22
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-(Methoxymethyl)-1,3-thiazol-4-yl)methanamine
CID 28948312
2-Methoxy-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanamine
CID 21667581
5-(Difluoromethyl)-2-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydro-1,3,4-oxadiazole
CID 156526024
N-[[4-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 55073108
N-methyl-1-[4-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-2-yl]methanamine
CID 55077413
N-[[4-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 55077459
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 60732804
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 61490761
N-methyl-1-[4-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]methanamine
CID 62445400
N-[[4-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 62445594
N-[[4-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 62445595
N-[[4-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 62445596

Frequently Asked Questions

What is the IUPAC name of [4-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]methanamine?
The IUPAC name of [4-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]methanamine (CID 62445219) is [4-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]methanamine.
What is the SMILES notation for [4-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]methanamine?
The canonical SMILES for [4-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]methanamine is NCc1nc(COCC(F)(F)F)cs1.
What is the InChIKey of [4-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]methanamine?
The InChIKey is YJSZBZAMFPVRCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2OS/c8-7(9,10)4-13-2-5-3-14-6(1-11)12-5/h3H,1-2,4,11H2.
What are the key properties of [4-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]methanamine?
[4-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]methanamine has a molecular weight of 226.22 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]methanamine is sourced from PubChem (CID 62445219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).