5-methyl-N-(2,3,4,5,6-pentafluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine

C10H7F5N2S — CID 115564685

IUPAC5-methyl-N-(2,3,4,5,6-pentafluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC1CN=C(Nc2c(F)c(F)c(F)c(F)c2F)S1
InChIInChI=1S/C10H7F5N2S/c1-3-2-16-10(18-3)17-9-7(14)5(12)4(11)6(13)8(9)15/h3H,2H2,1H3,(H,16,17)
InChIKeyRPWFCRHOXUGPCL-UHFFFAOYSA-N
MW282.24 g/mol
LogP3.29
Rot. Bonds1

About 5-methyl-N-(2,3,4,5,6-pentafluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine

5-methyl-N-(2,3,4,5,6-pentafluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 115564685) has the molecular formula C10H7F5N2S and a molecular weight of 282.24 g/mol. Its IUPAC name is 5-methyl-N-(2,3,4,5,6-pentafluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-methyl-N-(2,3,4,5,6-pentafluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID115564685
Molecular FormulaC10H7F5N2S
Molecular Weight282.24 g/mol
Exact Mass282.03
IUPAC Name5-methyl-N-(2,3,4,5,6-pentafluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC1CN=C(Nc2c(F)c(F)c(F)c(F)c2F)S1
InChIInChI=1S/C10H7F5N2S/c1-3-2-16-10(18-3)17-9-7(14)5(12)4(11)6(13)8(9)15/h3H,2H2,1H3,(H,16,17)
InChIKeyRPWFCRHOXUGPCL-UHFFFAOYSA-N
XLogP3.29
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.24
LogP ≤ 53.29
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 5-methyl-N-(2,3,4,5,6-pentafluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 5-methyl-N-(2,3,4,5,6-pentafluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 115564685) is 5-methyl-N-(2,3,4,5,6-pentafluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 5-methyl-N-(2,3,4,5,6-pentafluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 5-methyl-N-(2,3,4,5,6-pentafluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine is CC1CN=C(Nc2c(F)c(F)c(F)c(F)c2F)S1.
What is the InChIKey of 5-methyl-N-(2,3,4,5,6-pentafluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is RPWFCRHOXUGPCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F5N2S/c1-3-2-16-10(18-3)17-9-7(14)5(12)4(11)6(13)8(9)15/h3H,2H2,1H3,(H,16,17).
What are the key properties of 5-methyl-N-(2,3,4,5,6-pentafluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine?
5-methyl-N-(2,3,4,5,6-pentafluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 282.24 g/mol, XLogP of 3.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2,3,4,5,6-pentafluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 115564685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).