N-[2-(3-methylimidazol-4-yl)ethyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine

C10H11F3N4S — CID 75504415

IUPACN-[2-(3-methylimidazol-4-yl)ethyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESCn1cncc1CCNc1nc(C(F)(F)F)cs1
InChIInChI=1S/C10H11F3N4S/c1-17-6-14-4-7(17)2-3-15-9-16-8(5-18-9)10(11,12)13/h4-6H,2-3H2,1H3,(H,15,16)
InChIKeyQZMZMDAXZUKRAW-UHFFFAOYSA-N
MW276.29 g/mol
LogP2.55
Rot. Bonds4

About N-[2-(3-methylimidazol-4-yl)ethyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine

N-[2-(3-methylimidazol-4-yl)ethyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine (PubChem CID 75504415) has the molecular formula C10H11F3N4S and a molecular weight of 276.29 g/mol. Its IUPAC name is N-[2-(3-methylimidazol-4-yl)ethyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[2-(3-methylimidazol-4-yl)ethyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
PubChem CID75504415
Molecular FormulaC10H11F3N4S
Molecular Weight276.29 g/mol
Exact Mass276.07
IUPAC NameN-[2-(3-methylimidazol-4-yl)ethyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESCn1cncc1CCNc1nc(C(F)(F)F)cs1
InChIInChI=1S/C10H11F3N4S/c1-17-6-14-4-7(17)2-3-15-9-16-8(5-18-9)10(11,12)13/h4-6H,2-3H2,1H3,(H,15,16)
InChIKeyQZMZMDAXZUKRAW-UHFFFAOYSA-N
XLogP2.55
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(3-methylimidazol-4-yl)ethyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylimidazol-4-yl)ethyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-[2-(3-methylimidazol-4-yl)ethyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine (CID 75504415) is N-[2-(3-methylimidazol-4-yl)ethyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-[2-(3-methylimidazol-4-yl)ethyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-[2-(3-methylimidazol-4-yl)ethyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine is Cn1cncc1CCNc1nc(C(F)(F)F)cs1.
What is the InChIKey of N-[2-(3-methylimidazol-4-yl)ethyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The InChIKey is QZMZMDAXZUKRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N4S/c1-17-6-14-4-7(17)2-3-15-9-16-8(5-18-9)10(11,12)13/h4-6H,2-3H2,1H3,(H,15,16).
What are the key properties of N-[2-(3-methylimidazol-4-yl)ethyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine?
N-[2-(3-methylimidazol-4-yl)ethyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine has a molecular weight of 276.29 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylimidazol-4-yl)ethyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 75504415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).