5-(aminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine

C9H14F3N3S — CID 62752389

IUPAC5-(aminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCC(C)N(CC(F)(F)F)c1ncc(CN)s1
InChIInChI=1S/C9H14F3N3S/c1-6(2)15(5-9(10,11)12)8-14-4-7(3-13)16-8/h4,6H,3,5,13H2,1-2H3
InChIKeyVNCOUTKWWBNCDM-UHFFFAOYSA-N
MW253.29 g/mol
LogP2.38
Rot. Bonds4

About 5-(aminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine

5-(aminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (PubChem CID 62752389) has the molecular formula C9H14F3N3S and a molecular weight of 253.29 g/mol. Its IUPAC name is 5-(aminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
PubChem CID62752389
Molecular FormulaC9H14F3N3S
Molecular Weight253.29 g/mol
Exact Mass253.09
IUPAC Name5-(aminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCC(C)N(CC(F)(F)F)c1ncc(CN)s1
InChIInChI=1S/C9H14F3N3S/c1-6(2)15(5-9(10,11)12)8-14-4-7(3-13)16-8/h4,6H,3,5,13H2,1-2H3
InChIKeyVNCOUTKWWBNCDM-UHFFFAOYSA-N
XLogP2.38
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.29
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Thiazolamine, N-methyl-5-(trifluoromethyl)-
CID 11074029
(3S)-N,N-diethyl-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-3-amine
CID 164637805
[1-[(2-fluoro-1,3-thiazol-5-yl)methyl]-5,6-dihydro-4H-pyrimidin-2-yl]cyanamide
CID 15925069
1-(5-Trifluoromethyl-thiazol-2-yl)-piperazine hydrochloride
CID 21100200
1-[5-(Trifluoromethyl)-2-thiazolyl]piperazine
CID 21100201
2-(3,3-Difluoropyrrolidin-1-yl)-5-methyl-1,3-thiazole
CID 89652816
2-[(3R)-3-fluoropyrrolidin-1-yl]-5-methyl-1,3-thiazole
CID 89652817
5-[(3,3-Difluoropyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 120902687
2-(4-Methylpiperazin-1-yl)-5-(trifluoromethyl)-1,3-thiazole
CID 133521928
N-methyl-5-[[2-(trifluoromethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 139500937
Ethane;5-(trifluoromethyl)-1,3-thiazol-2-amine
CID 144410128
N-propan-2-yl-5-(trifluoromethyl)-1,3-thiazol-2-amine
CID 146535455

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-(aminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (CID 62752389) is 5-(aminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(aminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-(aminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is CC(C)N(CC(F)(F)F)c1ncc(CN)s1.
What is the InChIKey of 5-(aminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The InChIKey is VNCOUTKWWBNCDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3S/c1-6(2)15(5-9(10,11)12)8-14-4-7(3-13)16-8/h4,6H,3,5,13H2,1-2H3.
What are the key properties of 5-(aminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
5-(aminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine has a molecular weight of 253.29 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 62752389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).