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

C13H11FN4S — CID 118760002

IUPAC5-[1-(3-fluorophenyl)pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1-c1ccn(-c2cccc(F)c2)n1
InChIInChI=1S/C13H11FN4S/c1-8-12(19-13(15)16-8)11-5-6-18(17-11)10-4-2-3-9(14)7-10/h2-7H,1H3,(H2,15,16)
InChIKeyRQMFYTSPTACSBS-UHFFFAOYSA-N
MW274.32 g/mol
LogP3.03
Rot. Bonds2

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

5-[1-(3-fluorophenyl)pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine (PubChem CID 118760002) has the molecular formula C13H11FN4S and a molecular weight of 274.32 g/mol. Its IUPAC name is 5-[1-(3-fluorophenyl)pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[1-(3-fluorophenyl)pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine
PubChem CID118760002
Molecular FormulaC13H11FN4S
Molecular Weight274.32 g/mol
Exact Mass274.07
IUPAC Name5-[1-(3-fluorophenyl)pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1-c1ccn(-c2cccc(F)c2)n1
InChIInChI=1S/C13H11FN4S/c1-8-12(19-13(15)16-8)11-5-6-18(17-11)10-4-2-3-9(14)7-10/h2-7H,1H3,(H2,15,16)
InChIKeyRQMFYTSPTACSBS-UHFFFAOYSA-N
XLogP3.03
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(3-fluorophenyl)pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[1-(3-fluorophenyl)pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine (CID 118760002) is 5-[1-(3-fluorophenyl)pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[1-(3-fluorophenyl)pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[1-(3-fluorophenyl)pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine is Cc1nc(N)sc1-c1ccn(-c2cccc(F)c2)n1.
What is the InChIKey of 5-[1-(3-fluorophenyl)pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine?
The InChIKey is RQMFYTSPTACSBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN4S/c1-8-12(19-13(15)16-8)11-5-6-18(17-11)10-4-2-3-9(14)7-10/h2-7H,1H3,(H2,15,16).
What are the key properties of 5-[1-(3-fluorophenyl)pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine?
5-[1-(3-fluorophenyl)pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine has a molecular weight of 274.32 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3-fluorophenyl)pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 118760002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).