4-methyl-5-[(2,3,4,5,6-pentafluorophenyl)methyl]-1,3-thiazol-2-amine

C11H7F5N2S — CID 115564800

IUPAC4-methyl-5-[(2,3,4,5,6-pentafluorophenyl)methyl]-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1Cc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C11H7F5N2S/c1-3-5(19-11(17)18-3)2-4-6(12)8(14)10(16)9(15)7(4)13/h2H2,1H3,(H2,17,18)
InChIKeyGHVGFQKKDHFUBC-UHFFFAOYSA-N
MW294.25 g/mol
LogP3.32
Rot. Bonds2

About 4-methyl-5-[(2,3,4,5,6-pentafluorophenyl)methyl]-1,3-thiazol-2-amine

4-methyl-5-[(2,3,4,5,6-pentafluorophenyl)methyl]-1,3-thiazol-2-amine (PubChem CID 115564800) has the molecular formula C11H7F5N2S and a molecular weight of 294.25 g/mol. Its IUPAC name is 4-methyl-5-[(2,3,4,5,6-pentafluorophenyl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methyl-5-[(2,3,4,5,6-pentafluorophenyl)methyl]-1,3-thiazol-2-amine
PubChem CID115564800
Molecular FormulaC11H7F5N2S
Molecular Weight294.25 g/mol
Exact Mass294.03
IUPAC Name4-methyl-5-[(2,3,4,5,6-pentafluorophenyl)methyl]-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1Cc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C11H7F5N2S/c1-3-5(19-11(17)18-3)2-4-6(12)8(14)10(16)9(15)7(4)13/h2H2,1H3,(H2,17,18)
InChIKeyGHVGFQKKDHFUBC-UHFFFAOYSA-N
XLogP3.32
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.25
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[(2,3,4,5,6-pentafluorophenyl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-methyl-5-[(2,3,4,5,6-pentafluorophenyl)methyl]-1,3-thiazol-2-amine (CID 115564800) is 4-methyl-5-[(2,3,4,5,6-pentafluorophenyl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methyl-5-[(2,3,4,5,6-pentafluorophenyl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-methyl-5-[(2,3,4,5,6-pentafluorophenyl)methyl]-1,3-thiazol-2-amine is Cc1nc(N)sc1Cc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 4-methyl-5-[(2,3,4,5,6-pentafluorophenyl)methyl]-1,3-thiazol-2-amine?
The InChIKey is GHVGFQKKDHFUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F5N2S/c1-3-5(19-11(17)18-3)2-4-6(12)8(14)10(16)9(15)7(4)13/h2H2,1H3,(H2,17,18).
What are the key properties of 4-methyl-5-[(2,3,4,5,6-pentafluorophenyl)methyl]-1,3-thiazol-2-amine?
4-methyl-5-[(2,3,4,5,6-pentafluorophenyl)methyl]-1,3-thiazol-2-amine has a molecular weight of 294.25 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[(2,3,4,5,6-pentafluorophenyl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 115564800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).