N-methyl-2-[3-[2-(trifluoromethylsulfanyl)ethyl]imidazol-4-yl]propan-2-amine

C10H16F3N3S — CID 106433527

IUPACN-methyl-2-[3-[2-(trifluoromethylsulfanyl)ethyl]imidazol-4-yl]propan-2-amine
SMILESCNC(C)(C)c1cncn1CCSC(F)(F)F
InChIInChI=1S/C10H16F3N3S/c1-9(2,14-3)8-6-15-7-16(8)4-5-17-10(11,12)13/h6-7,14H,4-5H2,1-3H3
InChIKeyCWJXVLUEJIKMTD-UHFFFAOYSA-N
MW267.32 g/mol
LogP2.59
Rot. Bonds5

About N-methyl-2-[3-[2-(trifluoromethylsulfanyl)ethyl]imidazol-4-yl]propan-2-amine

N-methyl-2-[3-[2-(trifluoromethylsulfanyl)ethyl]imidazol-4-yl]propan-2-amine (PubChem CID 106433527) has the molecular formula C10H16F3N3S and a molecular weight of 267.32 g/mol. Its IUPAC name is N-methyl-2-[3-[2-(trifluoromethylsulfanyl)ethyl]imidazol-4-yl]propan-2-amine.

Molecular Properties

Compound NameN-methyl-2-[3-[2-(trifluoromethylsulfanyl)ethyl]imidazol-4-yl]propan-2-amine
PubChem CID106433527
Molecular FormulaC10H16F3N3S
Molecular Weight267.32 g/mol
Exact Mass267.10
IUPAC NameN-methyl-2-[3-[2-(trifluoromethylsulfanyl)ethyl]imidazol-4-yl]propan-2-amine
SMILESCNC(C)(C)c1cncn1CCSC(F)(F)F
InChIInChI=1S/C10H16F3N3S/c1-9(2,14-3)8-6-15-7-16(8)4-5-17-10(11,12)13/h6-7,14H,4-5H2,1-3H3
InChIKeyCWJXVLUEJIKMTD-UHFFFAOYSA-N
XLogP2.59
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[3-[2-(trifluoromethylsulfanyl)ethyl]imidazol-4-yl]propan-2-amine?
The IUPAC name of N-methyl-2-[3-[2-(trifluoromethylsulfanyl)ethyl]imidazol-4-yl]propan-2-amine (CID 106433527) is N-methyl-2-[3-[2-(trifluoromethylsulfanyl)ethyl]imidazol-4-yl]propan-2-amine.
What is the SMILES notation for N-methyl-2-[3-[2-(trifluoromethylsulfanyl)ethyl]imidazol-4-yl]propan-2-amine?
The canonical SMILES for N-methyl-2-[3-[2-(trifluoromethylsulfanyl)ethyl]imidazol-4-yl]propan-2-amine is CNC(C)(C)c1cncn1CCSC(F)(F)F.
What is the InChIKey of N-methyl-2-[3-[2-(trifluoromethylsulfanyl)ethyl]imidazol-4-yl]propan-2-amine?
The InChIKey is CWJXVLUEJIKMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3S/c1-9(2,14-3)8-6-15-7-16(8)4-5-17-10(11,12)13/h6-7,14H,4-5H2,1-3H3.
What are the key properties of N-methyl-2-[3-[2-(trifluoromethylsulfanyl)ethyl]imidazol-4-yl]propan-2-amine?
N-methyl-2-[3-[2-(trifluoromethylsulfanyl)ethyl]imidazol-4-yl]propan-2-amine has a molecular weight of 267.32 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[3-[2-(trifluoromethylsulfanyl)ethyl]imidazol-4-yl]propan-2-amine is sourced from PubChem (CID 106433527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).