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

C11H10BrF3N2S — CID 86811771

IUPAC4-methyl-5-[(2,3,4-trifluorophenyl)methyl]-1,3-thiazol-2-amine;hydrobromide
SMILESBr.Cc1nc(N)sc1Cc1ccc(F)c(F)c1F
InChIInChI=1S/C11H9F3N2S.BrH/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);1H
InChIKeyMPWBYPWGZTZLKQ-UHFFFAOYSA-N
MW339.18 g/mol
LogP3.62
Rot. Bonds2

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

4-methyl-5-[(2,3,4-trifluorophenyl)methyl]-1,3-thiazol-2-amine;hydrobromide (PubChem CID 86811771) has the molecular formula C11H10BrF3N2S and a molecular weight of 339.18 g/mol. Its IUPAC name is 4-methyl-5-[(2,3,4-trifluorophenyl)methyl]-1,3-thiazol-2-amine;hydrobromide.

Molecular Properties

Compound Name4-methyl-5-[(2,3,4-trifluorophenyl)methyl]-1,3-thiazol-2-amine;hydrobromide
PubChem CID86811771
Molecular FormulaC11H10BrF3N2S
Molecular Weight339.18 g/mol
Exact Mass337.97
IUPAC Name4-methyl-5-[(2,3,4-trifluorophenyl)methyl]-1,3-thiazol-2-amine;hydrobromide
SMILESBr.Cc1nc(N)sc1Cc1ccc(F)c(F)c1F
InChIInChI=1S/C11H9F3N2S.BrH/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);1H
InChIKeyMPWBYPWGZTZLKQ-UHFFFAOYSA-N
XLogP3.62
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.18
LogP ≤ 53.62
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;hydrobromide?
The IUPAC name of 4-methyl-5-[(2,3,4-trifluorophenyl)methyl]-1,3-thiazol-2-amine;hydrobromide (CID 86811771) is 4-methyl-5-[(2,3,4-trifluorophenyl)methyl]-1,3-thiazol-2-amine;hydrobromide.
What is the SMILES notation for 4-methyl-5-[(2,3,4-trifluorophenyl)methyl]-1,3-thiazol-2-amine;hydrobromide?
The canonical SMILES for 4-methyl-5-[(2,3,4-trifluorophenyl)methyl]-1,3-thiazol-2-amine;hydrobromide is Br.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;hydrobromide?
The InChIKey is MPWBYPWGZTZLKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2S.BrH/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);1H.
What are the key properties of 4-methyl-5-[(2,3,4-trifluorophenyl)methyl]-1,3-thiazol-2-amine;hydrobromide?
4-methyl-5-[(2,3,4-trifluorophenyl)methyl]-1,3-thiazol-2-amine;hydrobromide has a molecular weight of 339.18 g/mol, XLogP of 3.62, 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;hydrobromide is sourced from PubChem (CID 86811771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).