5-[(cyclopropylamino)methyl]-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine

C11H16F3N3S — CID 55112493

IUPAC5-[(cyclopropylamino)methyl]-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCCN(CC(F)(F)F)c1ncc(CNC2CC2)s1
InChIInChI=1S/C11H16F3N3S/c1-2-17(7-11(12,13)14)10-16-6-9(18-10)5-15-8-3-4-8/h6,8,15H,2-5,7H2,1H3
InChIKeyGWFBMLYLRQSPBJ-UHFFFAOYSA-N
MW279.33 g/mol
LogP2.78
Rot. Bonds6

About 5-[(cyclopropylamino)methyl]-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine

5-[(cyclopropylamino)methyl]-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (PubChem CID 55112493) has the molecular formula C11H16F3N3S and a molecular weight of 279.33 g/mol. Its IUPAC name is 5-[(cyclopropylamino)methyl]-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(cyclopropylamino)methyl]-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
PubChem CID55112493
Molecular FormulaC11H16F3N3S
Molecular Weight279.33 g/mol
Exact Mass279.10
IUPAC Name5-[(cyclopropylamino)methyl]-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCCN(CC(F)(F)F)c1ncc(CNC2CC2)s1
InChIInChI=1S/C11H16F3N3S/c1-2-17(7-11(12,13)14)10-16-6-9(18-10)5-15-8-3-4-8/h6,8,15H,2-5,7H2,1H3
InChIKeyGWFBMLYLRQSPBJ-UHFFFAOYSA-N
XLogP2.78
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.33
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(Trifluoromethyl)-2-thiazolyl]piperazine
CID 21100201
5-[1-(3,3-Dimethylbutylamino)-2,2,2-trifluoroethyl]-1,3-thiazol-2-amine
CID 87904375
N-methyl-5-[[2-(trifluoromethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 139500937
N-propan-2-yl-5-(trifluoromethyl)-1,3-thiazol-2-amine
CID 146535455
5-(fluoromethyl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 153485005
N-methyl-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-amine
CID 156313284
N-methyl-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-amine;hydrochloride
CID 156313543
5-(aminomethyl)-N-(4,4-difluorocyclohexyl)-1,3-thiazol-2-amine
CID 174276172
N-piperidin-4-yl-5-(trifluoromethyl)-1,3-thiazol-2-amine
CID 177777239
N,N-diethyl-5-[(2,2,2-trifluoroethylamino)methyl]-1,3-thiazol-2-amine
CID 43755056
5-[1-(ethylamino)ethyl]-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 55111873
N-methyl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 55112013

Frequently Asked Questions

What is the IUPAC name of 5-[(cyclopropylamino)methyl]-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-[(cyclopropylamino)methyl]-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (CID 55112493) is 5-[(cyclopropylamino)methyl]-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(cyclopropylamino)methyl]-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(cyclopropylamino)methyl]-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is CCN(CC(F)(F)F)c1ncc(CNC2CC2)s1.
What is the InChIKey of 5-[(cyclopropylamino)methyl]-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The InChIKey is GWFBMLYLRQSPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3S/c1-2-17(7-11(12,13)14)10-16-6-9(18-10)5-15-8-3-4-8/h6,8,15H,2-5,7H2,1H3.
What are the key properties of 5-[(cyclopropylamino)methyl]-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
5-[(cyclopropylamino)methyl]-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine has a molecular weight of 279.33 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclopropylamino)methyl]-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 55112493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).