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

C17H13FN6OS — CID 56644913

IUPAC4-[5-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-4-yl]-N-pyrimidin-2-yl-1,3-thiazol-2-amine
SMILESCOc1ccc(F)cc1-c1[nH]ncc1-c1csc(Nc2ncccn2)n1
InChIInChI=1S/C17H13FN6OS/c1-25-14-4-3-10(18)7-11(14)15-12(8-21-24-15)13-9-26-17(22-13)23-16-19-5-2-6-20-16/h2-9H,1H3,(H,21,24)(H,19,20,22,23)
InChIKeyPQPHCRIGQNAMGT-UHFFFAOYSA-N
MW368.40 g/mol
LogP3.88
Rot. Bonds5

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

4-[5-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-4-yl]-N-pyrimidin-2-yl-1,3-thiazol-2-amine (PubChem CID 56644913) has the molecular formula C17H13FN6OS and a molecular weight of 368.40 g/mol. Its IUPAC name is 4-[5-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-4-yl]-N-pyrimidin-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[5-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-4-yl]-N-pyrimidin-2-yl-1,3-thiazol-2-amine
PubChem CID56644913
Molecular FormulaC17H13FN6OS
Molecular Weight368.40 g/mol
Exact Mass368.09
IUPAC Name4-[5-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-4-yl]-N-pyrimidin-2-yl-1,3-thiazol-2-amine
SMILESCOc1ccc(F)cc1-c1[nH]ncc1-c1csc(Nc2ncccn2)n1
InChIInChI=1S/C17H13FN6OS/c1-25-14-4-3-10(18)7-11(14)15-12(8-21-24-15)13-9-26-17(22-13)23-16-19-5-2-6-20-16/h2-9H,1H3,(H,21,24)(H,19,20,22,23)
InChIKeyPQPHCRIGQNAMGT-UHFFFAOYSA-N
XLogP3.88
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-4-yl]-N-pyrimidin-2-yl-1,3-thiazol-2-amine?
The IUPAC name of 4-[5-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-4-yl]-N-pyrimidin-2-yl-1,3-thiazol-2-amine (CID 56644913) is 4-[5-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-4-yl]-N-pyrimidin-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[5-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-4-yl]-N-pyrimidin-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for 4-[5-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-4-yl]-N-pyrimidin-2-yl-1,3-thiazol-2-amine is COc1ccc(F)cc1-c1[nH]ncc1-c1csc(Nc2ncccn2)n1.
What is the InChIKey of 4-[5-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-4-yl]-N-pyrimidin-2-yl-1,3-thiazol-2-amine?
The InChIKey is PQPHCRIGQNAMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN6OS/c1-25-14-4-3-10(18)7-11(14)15-12(8-21-24-15)13-9-26-17(22-13)23-16-19-5-2-6-20-16/h2-9H,1H3,(H,21,24)(H,19,20,22,23).
What are the key properties of 4-[5-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-4-yl]-N-pyrimidin-2-yl-1,3-thiazol-2-amine?
4-[5-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-4-yl]-N-pyrimidin-2-yl-1,3-thiazol-2-amine has a molecular weight of 368.40 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-4-yl]-N-pyrimidin-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 56644913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).