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

C16H11FN6S — CID 46836120

IUPAC4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-pyrimidin-2-yl-1,3-thiazol-2-amine
SMILESFc1ccc(-c2[nH]ncc2-c2csc(Nc3ncccn3)n2)cc1
InChIInChI=1S/C16H11FN6S/c17-11-4-2-10(3-5-11)14-12(8-20-23-14)13-9-24-16(21-13)22-15-18-6-1-7-19-15/h1-9H,(H,20,23)(H,18,19,21,22)
InChIKeyQIKKFMKWKPVPJQ-UHFFFAOYSA-N
MW338.37 g/mol
LogP3.87
Rot. Bonds4

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

4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-pyrimidin-2-yl-1,3-thiazol-2-amine (PubChem CID 46836120) has the molecular formula C16H11FN6S and a molecular weight of 338.37 g/mol. Its IUPAC name is 4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-pyrimidin-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-pyrimidin-2-yl-1,3-thiazol-2-amine
PubChem CID46836120
Molecular FormulaC16H11FN6S
Molecular Weight338.37 g/mol
Exact Mass338.07
IUPAC Name4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-pyrimidin-2-yl-1,3-thiazol-2-amine
SMILESFc1ccc(-c2[nH]ncc2-c2csc(Nc3ncccn3)n2)cc1
InChIInChI=1S/C16H11FN6S/c17-11-4-2-10(3-5-11)14-12(8-20-23-14)13-9-24-16(21-13)22-15-18-6-1-7-19-15/h1-9H,(H,20,23)(H,18,19,21,22)
InChIKeyQIKKFMKWKPVPJQ-UHFFFAOYSA-N
XLogP3.87
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-pyrimidin-2-yl-1,3-thiazol-2-amine?
The IUPAC name of 4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-pyrimidin-2-yl-1,3-thiazol-2-amine (CID 46836120) is 4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-pyrimidin-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-pyrimidin-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for 4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-pyrimidin-2-yl-1,3-thiazol-2-amine is Fc1ccc(-c2[nH]ncc2-c2csc(Nc3ncccn3)n2)cc1.
What is the InChIKey of 4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-pyrimidin-2-yl-1,3-thiazol-2-amine?
The InChIKey is QIKKFMKWKPVPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN6S/c17-11-4-2-10(3-5-11)14-12(8-20-23-14)13-9-24-16(21-13)22-15-18-6-1-7-19-15/h1-9H,(H,20,23)(H,18,19,21,22).
What are the key properties of 4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-pyrimidin-2-yl-1,3-thiazol-2-amine?
4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-pyrimidin-2-yl-1,3-thiazol-2-amine has a molecular weight of 338.37 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-pyrimidin-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 46836120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).