5-[1-(2-fluorophenyl)pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid

C15H12F4N4O2S — CID 154903052

IUPAC5-[1-(2-fluorophenyl)pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid
SMILESCc1nc(N)sc1-c1ccn(-c2ccccc2F)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C13H11FN4S.C2HF3O2/c1-8-12(19-13(15)16-8)10-6-7-18(17-10)11-5-3-2-4-9(11)14;3-2(4,5)1(6)7/h2-7H,1H3,(H2,15,16);(H,6,7)
InChIKeyRMISFODTPBRKDA-UHFFFAOYSA-N
MW388.35 g/mol
LogP3.66
Rot. Bonds2

About 5-[1-(2-fluorophenyl)pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid

5-[1-(2-fluorophenyl)pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid (PubChem CID 154903052) has the molecular formula C15H12F4N4O2S and a molecular weight of 388.35 g/mol. Its IUPAC name is 5-[1-(2-fluorophenyl)pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name5-[1-(2-fluorophenyl)pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid
PubChem CID154903052
Molecular FormulaC15H12F4N4O2S
Molecular Weight388.35 g/mol
Exact Mass388.06
IUPAC Name5-[1-(2-fluorophenyl)pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid
SMILESCc1nc(N)sc1-c1ccn(-c2ccccc2F)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C13H11FN4S.C2HF3O2/c1-8-12(19-13(15)16-8)10-6-7-18(17-10)11-5-3-2-4-9(11)14;3-2(4,5)1(6)7/h2-7H,1H3,(H2,15,16);(H,6,7)
InChIKeyRMISFODTPBRKDA-UHFFFAOYSA-N
XLogP3.66
TPSA94.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.35
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-fluorophenyl)pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of 5-[1-(2-fluorophenyl)pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid (CID 154903052) is 5-[1-(2-fluorophenyl)pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 5-[1-(2-fluorophenyl)pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 5-[1-(2-fluorophenyl)pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid is Cc1nc(N)sc1-c1ccn(-c2ccccc2F)n1.O=C(O)C(F)(F)F.
What is the InChIKey of 5-[1-(2-fluorophenyl)pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid?
The InChIKey is RMISFODTPBRKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN4S.C2HF3O2/c1-8-12(19-13(15)16-8)10-6-7-18(17-10)11-5-3-2-4-9(11)14;3-2(4,5)1(6)7/h2-7H,1H3,(H2,15,16);(H,6,7).
What are the key properties of 5-[1-(2-fluorophenyl)pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid?
5-[1-(2-fluorophenyl)pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid has a molecular weight of 388.35 g/mol, XLogP of 3.66, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-fluorophenyl)pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 154903052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).