4-methyl-5-[(2,3,4-trifluorophenyl)methyl]-1,3-thiazol-2-amine

C11H9F3N2S — CID 43637201

IUPAC4-methyl-5-[(2,3,4-trifluorophenyl)methyl]-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1Cc1ccc(F)c(F)c1F
InChIInChI=1S/C11H9F3N2S/c1-5-8(17-11(15)16-5)4-6-2-3-7(12)10(14)9(6)13/h2-3H,4H2,1H3,(H2,15,16)
InChIKeyKEBPCEBZIIPSSX-UHFFFAOYSA-N
MW258.27 g/mol
LogP3.04
Rot. Bonds2

About 4-methyl-5-[(2,3,4-trifluorophenyl)methyl]-1,3-thiazol-2-amine

4-methyl-5-[(2,3,4-trifluorophenyl)methyl]-1,3-thiazol-2-amine (PubChem CID 43637201) has the molecular formula C11H9F3N2S and a molecular weight of 258.27 g/mol. Its IUPAC name is 4-methyl-5-[(2,3,4-trifluorophenyl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methyl-5-[(2,3,4-trifluorophenyl)methyl]-1,3-thiazol-2-amine
PubChem CID43637201
Molecular FormulaC11H9F3N2S
Molecular Weight258.27 g/mol
Exact Mass258.04
IUPAC Name4-methyl-5-[(2,3,4-trifluorophenyl)methyl]-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1Cc1ccc(F)c(F)c1F
InChIInChI=1S/C11H9F3N2S/c1-5-8(17-11(15)16-5)4-6-2-3-7(12)10(14)9(6)13/h2-3H,4H2,1H3,(H2,15,16)
InChIKeyKEBPCEBZIIPSSX-UHFFFAOYSA-N
XLogP3.04
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[(2,3,4-trifluorophenyl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-methyl-5-[(2,3,4-trifluorophenyl)methyl]-1,3-thiazol-2-amine (CID 43637201) is 4-methyl-5-[(2,3,4-trifluorophenyl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methyl-5-[(2,3,4-trifluorophenyl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-methyl-5-[(2,3,4-trifluorophenyl)methyl]-1,3-thiazol-2-amine is Cc1nc(N)sc1Cc1ccc(F)c(F)c1F.
What is the InChIKey of 4-methyl-5-[(2,3,4-trifluorophenyl)methyl]-1,3-thiazol-2-amine?
The InChIKey is KEBPCEBZIIPSSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2S/c1-5-8(17-11(15)16-5)4-6-2-3-7(12)10(14)9(6)13/h2-3H,4H2,1H3,(H2,15,16).
What are the key properties of 4-methyl-5-[(2,3,4-trifluorophenyl)methyl]-1,3-thiazol-2-amine?
4-methyl-5-[(2,3,4-trifluorophenyl)methyl]-1,3-thiazol-2-amine has a molecular weight of 258.27 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[(2,3,4-trifluorophenyl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 43637201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).