N-[2-(3,5-dimethylpyrazol-1-yl)-6-pyrazol-1-ylpyrimidin-4-yl]-1,3-thiazol-2-amine

C15H14N8S — CID 72945513

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)-6-pyrazol-1-ylpyrimidin-4-yl]-1,3-thiazol-2-amine
SMILESCc1cc(C)n(-c2nc(Nc3nccs3)cc(-n3cccn3)n2)n1
InChIInChI=1S/C15H14N8S/c1-10-8-11(2)23(21-10)14-18-12(19-15-16-5-7-24-15)9-13(20-14)22-6-3-4-17-22/h3-9H,1-2H3,(H,16,18,19,20)
InChIKeyRBNPOVJAQHIESN-UHFFFAOYSA-N
MW338.40 g/mol
LogP2.66
Rot. Bonds4

About N-[2-(3,5-dimethylpyrazol-1-yl)-6-pyrazol-1-ylpyrimidin-4-yl]-1,3-thiazol-2-amine

N-[2-(3,5-dimethylpyrazol-1-yl)-6-pyrazol-1-ylpyrimidin-4-yl]-1,3-thiazol-2-amine (PubChem CID 72945513) has the molecular formula C15H14N8S and a molecular weight of 338.40 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)-6-pyrazol-1-ylpyrimidin-4-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)-6-pyrazol-1-ylpyrimidin-4-yl]-1,3-thiazol-2-amine
PubChem CID72945513
Molecular FormulaC15H14N8S
Molecular Weight338.40 g/mol
Exact Mass338.11
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)-6-pyrazol-1-ylpyrimidin-4-yl]-1,3-thiazol-2-amine
SMILESCc1cc(C)n(-c2nc(Nc3nccs3)cc(-n3cccn3)n2)n1
InChIInChI=1S/C15H14N8S/c1-10-8-11(2)23(21-10)14-18-12(19-15-16-5-7-24-15)9-13(20-14)22-6-3-4-17-22/h3-9H,1-2H3,(H,16,18,19,20)
InChIKeyRBNPOVJAQHIESN-UHFFFAOYSA-N
XLogP2.66
TPSA86.34 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)-6-pyrazol-1-ylpyrimidin-4-yl]-1,3-thiazol-2-amine?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)-6-pyrazol-1-ylpyrimidin-4-yl]-1,3-thiazol-2-amine (CID 72945513) is N-[2-(3,5-dimethylpyrazol-1-yl)-6-pyrazol-1-ylpyrimidin-4-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)-6-pyrazol-1-ylpyrimidin-4-yl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)-6-pyrazol-1-ylpyrimidin-4-yl]-1,3-thiazol-2-amine is Cc1cc(C)n(-c2nc(Nc3nccs3)cc(-n3cccn3)n2)n1.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)-6-pyrazol-1-ylpyrimidin-4-yl]-1,3-thiazol-2-amine?
The InChIKey is RBNPOVJAQHIESN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N8S/c1-10-8-11(2)23(21-10)14-18-12(19-15-16-5-7-24-15)9-13(20-14)22-6-3-4-17-22/h3-9H,1-2H3,(H,16,18,19,20).
What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)-6-pyrazol-1-ylpyrimidin-4-yl]-1,3-thiazol-2-amine?
N-[2-(3,5-dimethylpyrazol-1-yl)-6-pyrazol-1-ylpyrimidin-4-yl]-1,3-thiazol-2-amine has a molecular weight of 338.40 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpyrazol-1-yl)-6-pyrazol-1-ylpyrimidin-4-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 72945513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).