N-cyclopropyl-4-methyl-5-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine

C11H16F3N3S — CID 55117942

IUPACN-cyclopropyl-4-methyl-5-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCNCc1sc(N(CC(F)(F)F)C2CC2)nc1C
InChIInChI=1S/C11H16F3N3S/c1-7-9(5-15-2)18-10(16-7)17(8-3-4-8)6-11(12,13)14/h8,15H,3-6H2,1-2H3
InChIKeyBXLPYKOCDDGQBI-UHFFFAOYSA-N
MW279.33 g/mol
LogP2.70
Rot. Bonds5

About N-cyclopropyl-4-methyl-5-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine

N-cyclopropyl-4-methyl-5-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (PubChem CID 55117942) has the molecular formula C11H16F3N3S and a molecular weight of 279.33 g/mol. Its IUPAC name is N-cyclopropyl-4-methyl-5-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-4-methyl-5-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
PubChem CID55117942
Molecular FormulaC11H16F3N3S
Molecular Weight279.33 g/mol
Exact Mass279.10
IUPAC NameN-cyclopropyl-4-methyl-5-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCNCc1sc(N(CC(F)(F)F)C2CC2)nc1C
InChIInChI=1S/C11H16F3N3S/c1-7-9(5-15-2)18-10(16-7)17(8-3-4-8)6-11(12,13)14/h8,15H,3-6H2,1-2H3
InChIKeyBXLPYKOCDDGQBI-UHFFFAOYSA-N
XLogP2.70
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 ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-N-pentyl-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 87536124
N-ethyl-5-[1-(ethylamino)ethyl]-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 55112448
N-cyclopropyl-4-methyl-5-[1-(methylamino)ethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 55112495
5-(1-aminoethyl)-4-methyl-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 55113714
N,4-dimethyl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 55117368
N,4-dimethyl-5-[(2-methylpropylamino)methyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 55117415
4-ethyl-5-(ethylaminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 55117416
5-(aminomethyl)-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 55117845
5-(ethylaminomethyl)-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 55117891
N-ethyl-4-methyl-5-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 55117893
N-ethyl-5-(methylaminomethyl)-4-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 55117941
N-[[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 62403925

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methyl-5-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-cyclopropyl-4-methyl-5-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (CID 55117942) is N-cyclopropyl-4-methyl-5-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-cyclopropyl-4-methyl-5-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-cyclopropyl-4-methyl-5-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is CNCc1sc(N(CC(F)(F)F)C2CC2)nc1C.
What is the InChIKey of N-cyclopropyl-4-methyl-5-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The InChIKey is BXLPYKOCDDGQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3S/c1-7-9(5-15-2)18-10(16-7)17(8-3-4-8)6-11(12,13)14/h8,15H,3-6H2,1-2H3.
What are the key properties of N-cyclopropyl-4-methyl-5-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
N-cyclopropyl-4-methyl-5-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine has a molecular weight of 279.33 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-methyl-5-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 55117942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).