5-fluoro-N-methyl-4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-amine

C8H9FN4S — CID 58477505

IUPAC5-fluoro-N-methyl-4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-amine
SMILESCNc1nc(-c2cnn(C)c2)c(F)s1
InChIInChI=1S/C8H9FN4S/c1-10-8-12-6(7(9)14-8)5-3-11-13(2)4-5/h3-4H,1-2H3,(H,10,12)
InChIKeyYCBMXYKFVUMKHO-UHFFFAOYSA-N
MW212.25 g/mol
LogP1.72
Rot. Bonds2

About 5-fluoro-N-methyl-4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-amine

5-fluoro-N-methyl-4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-amine (PubChem CID 58477505) has the molecular formula C8H9FN4S and a molecular weight of 212.25 g/mol. Its IUPAC name is 5-fluoro-N-methyl-4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-fluoro-N-methyl-4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-amine
PubChem CID58477505
Molecular FormulaC8H9FN4S
Molecular Weight212.25 g/mol
Exact Mass212.05
IUPAC Name5-fluoro-N-methyl-4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-amine
SMILESCNc1nc(-c2cnn(C)c2)c(F)s1
InChIInChI=1S/C8H9FN4S/c1-10-8-12-6(7(9)14-8)5-3-11-13(2)4-5/h3-4H,1-2H3,(H,10,12)
InChIKeyYCBMXYKFVUMKHO-UHFFFAOYSA-N
XLogP1.72
TPSA42.74 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 ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-methyl-4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-amine?
The IUPAC name of 5-fluoro-N-methyl-4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-amine (CID 58477505) is 5-fluoro-N-methyl-4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-fluoro-N-methyl-4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-fluoro-N-methyl-4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-amine is CNc1nc(-c2cnn(C)c2)c(F)s1.
What is the InChIKey of 5-fluoro-N-methyl-4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-amine?
The InChIKey is YCBMXYKFVUMKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN4S/c1-10-8-12-6(7(9)14-8)5-3-11-13(2)4-5/h3-4H,1-2H3,(H,10,12).
What are the key properties of 5-fluoro-N-methyl-4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-amine?
5-fluoro-N-methyl-4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-amine has a molecular weight of 212.25 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-methyl-4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 58477505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).