5-(1-ethyl-5-fluoropyrazol-4-yl)-1,3-thiazol-2-amine

C8H9FN4S — CID 130493789

IUPAC5-(1-ethyl-5-fluoropyrazol-4-yl)-1,3-thiazol-2-amine
SMILESCCn1ncc(-c2cnc(N)s2)c1F
InChIInChI=1S/C8H9FN4S/c1-2-13-7(9)5(3-12-13)6-4-11-8(10)14-6/h3-4H,2H2,1H3,(H2,10,11)
InChIKeyOGNPBDVUDKZUKG-UHFFFAOYSA-N
MW212.25 g/mol
LogP1.75
Rot. Bonds2

About 5-(1-ethyl-5-fluoropyrazol-4-yl)-1,3-thiazol-2-amine

5-(1-ethyl-5-fluoropyrazol-4-yl)-1,3-thiazol-2-amine (PubChem CID 130493789) has the molecular formula C8H9FN4S and a molecular weight of 212.25 g/mol. Its IUPAC name is 5-(1-ethyl-5-fluoropyrazol-4-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(1-ethyl-5-fluoropyrazol-4-yl)-1,3-thiazol-2-amine
PubChem CID130493789
Molecular FormulaC8H9FN4S
Molecular Weight212.25 g/mol
Exact Mass212.05
IUPAC Name5-(1-ethyl-5-fluoropyrazol-4-yl)-1,3-thiazol-2-amine
SMILESCCn1ncc(-c2cnc(N)s2)c1F
InChIInChI=1S/C8H9FN4S/c1-2-13-7(9)5(3-12-13)6-4-11-8(10)14-6/h3-4H,2H2,1H3,(H2,10,11)
InChIKeyOGNPBDVUDKZUKG-UHFFFAOYSA-N
XLogP1.75
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1-ethyl-5-fluoropyrazol-4-yl)-1,3-thiazol-2-amine?
The IUPAC name of 5-(1-ethyl-5-fluoropyrazol-4-yl)-1,3-thiazol-2-amine (CID 130493789) is 5-(1-ethyl-5-fluoropyrazol-4-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(1-ethyl-5-fluoropyrazol-4-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-(1-ethyl-5-fluoropyrazol-4-yl)-1,3-thiazol-2-amine is CCn1ncc(-c2cnc(N)s2)c1F.
What is the InChIKey of 5-(1-ethyl-5-fluoropyrazol-4-yl)-1,3-thiazol-2-amine?
The InChIKey is OGNPBDVUDKZUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN4S/c1-2-13-7(9)5(3-12-13)6-4-11-8(10)14-6/h3-4H,2H2,1H3,(H2,10,11).
What are the key properties of 5-(1-ethyl-5-fluoropyrazol-4-yl)-1,3-thiazol-2-amine?
5-(1-ethyl-5-fluoropyrazol-4-yl)-1,3-thiazol-2-amine has a molecular weight of 212.25 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethyl-5-fluoropyrazol-4-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 130493789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).