N-[[2-[(dimethylamino)methyl]-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine

C11H16F3N3S — CID 113497316

IUPACN-[[2-[(dimethylamino)methyl]-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESCN(C)Cc1nc(C(F)(F)F)c(CNC2CC2)s1
InChIInChI=1S/C11H16F3N3S/c1-17(2)6-9-16-10(11(12,13)14)8(18-9)5-15-7-3-4-7/h7,15H,3-6H2,1-2H3
InChIKeyDZYDUERFGLYOAR-UHFFFAOYSA-N
MW279.33 g/mol
LogP2.48
Rot. Bonds5

About N-[[2-[(dimethylamino)methyl]-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine

N-[[2-[(dimethylamino)methyl]-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine (PubChem CID 113497316) has the molecular formula C11H16F3N3S and a molecular weight of 279.33 g/mol. Its IUPAC name is N-[[2-[(dimethylamino)methyl]-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-[(dimethylamino)methyl]-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
PubChem CID113497316
Molecular FormulaC11H16F3N3S
Molecular Weight279.33 g/mol
Exact Mass279.10
IUPAC NameN-[[2-[(dimethylamino)methyl]-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESCN(C)Cc1nc(C(F)(F)F)c(CNC2CC2)s1
InChIInChI=1S/C11H16F3N3S/c1-17(2)6-9-16-10(11(12,13)14)8(18-9)5-15-7-3-4-7/h7,15H,3-6H2,1-2H3
InChIKeyDZYDUERFGLYOAR-UHFFFAOYSA-N
XLogP2.48
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.33
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-tert-butyl-2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82439344
N-[[2-[(dimethylamino)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82441422
N-[[4-tert-butyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114363304
N-[[2-(2-ethoxypropan-2-yl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 116730832
N-[(4-tert-butyl-2-propyl-1,3-thiazol-5-yl)methyl]cyclopropanamine
CID 82438489
N-[[2-(diethylaminomethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82435204
N-[[2-[2-(dimethylamino)ethyl]-4-propyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82433073
N-[[2-(3-chloro-2-pyridinyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 103445237
5-[(cyclopropylamino)methyl]-N-methyl-4-propan-2-yl-N-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine
CID 79383339
N-[[4-propyl-2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114364519
N-[[2-(2-methylpropyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82434590
4-tert-butyl-5-[(cyclopropylamino)methyl]-N-methyl-N-(2-methylsulfanylethyl)-1,3-thiazol-2-amine
CID 115987940

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(dimethylamino)methyl]-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-[(dimethylamino)methyl]-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine (CID 113497316) is N-[[2-[(dimethylamino)methyl]-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-[(dimethylamino)methyl]-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-[(dimethylamino)methyl]-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine is CN(C)Cc1nc(C(F)(F)F)c(CNC2CC2)s1.
What is the InChIKey of N-[[2-[(dimethylamino)methyl]-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The InChIKey is DZYDUERFGLYOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3S/c1-17(2)6-9-16-10(11(12,13)14)8(18-9)5-15-7-3-4-7/h7,15H,3-6H2,1-2H3.
What are the key properties of N-[[2-[(dimethylamino)methyl]-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
N-[[2-[(dimethylamino)methyl]-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine has a molecular weight of 279.33 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(dimethylamino)methyl]-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 113497316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).