N,4-dimethyl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine

C11H18F3N3S — CID 55117368

IUPACN,4-dimethyl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCCCNCc1sc(N(C)CC(F)(F)F)nc1C
InChIInChI=1S/C11H18F3N3S/c1-4-5-15-6-9-8(2)16-10(18-9)17(3)7-11(12,13)14/h15H,4-7H2,1-3H3
InChIKeyCMQKRRCQJYHUEV-UHFFFAOYSA-N
MW281.35 g/mol
LogP2.95
Rot. Bonds6

About N,4-dimethyl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine

N,4-dimethyl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (PubChem CID 55117368) has the molecular formula C11H18F3N3S and a molecular weight of 281.35 g/mol. Its IUPAC name is N,4-dimethyl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN,4-dimethyl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
PubChem CID55117368
Molecular FormulaC11H18F3N3S
Molecular Weight281.35 g/mol
Exact Mass281.12
IUPAC NameN,4-dimethyl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCCCNCc1sc(N(C)CC(F)(F)F)nc1C
InChIInChI=1S/C11H18F3N3S/c1-4-5-15-6-9-8(2)16-10(18-9)17(3)7-11(12,13)14/h15H,4-7H2,1-3H3
InChIKeyCMQKRRCQJYHUEV-UHFFFAOYSA-N
XLogP2.95
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(2S,4S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-fluoropyrrolidin-2-yl]-N-methylmethanamine
CID 137955827
1-(4-Methyl-5-trifluoromethyl-thiazol-2-yl)-piperazine hydrochloride
CID 21100177
4-Methyl-2-piperazin-1-yl-5-(trifluoromethyl)-1,3-thiazole
CID 21100178
1-(5-Methyl-4-trifluoromethyl-thiazol-2-yl)-piperazine
CID 21100189
5-(aminomethyl)-N-pentyl-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 87536124
4-Methyl-5-[1-(2,2,2-trifluoroethylamino)ethyl]-1,3-thiazol-2-amine
CID 87904346
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
5-(aminomethyl)-N,4-dipropyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 55117229
5-(ethylaminomethyl)-N-methyl-4-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 55117367
N,4-dimethyl-5-[(2-methylpropylamino)methyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 55117415

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The IUPAC name of N,4-dimethyl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (CID 55117368) is N,4-dimethyl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N,4-dimethyl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N,4-dimethyl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is CCCNCc1sc(N(C)CC(F)(F)F)nc1C.
What is the InChIKey of N,4-dimethyl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The InChIKey is CMQKRRCQJYHUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3S/c1-4-5-15-6-9-8(2)16-10(18-9)17(3)7-11(12,13)14/h15H,4-7H2,1-3H3.
What are the key properties of N,4-dimethyl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
N,4-dimethyl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine has a molecular weight of 281.35 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 55117368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).