4-[6-(1,3-thiazol-2-yl)-1H-indazol-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine

C15H9F3N6S — CID 142624269

IUPAC4-[6-(1,3-thiazol-2-yl)-1H-indazol-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine
SMILESNc1ncc(C(F)(F)F)c(-c2n[nH]c3cc(-c4nccs4)ccc23)n1
InChIInChI=1S/C15H9F3N6S/c16-15(17,18)9-6-21-14(19)22-12(9)11-8-2-1-7(5-10(8)23-24-11)13-20-3-4-25-13/h1-6H,(H,23,24)(H2,19,21,22)
InChIKeyNNXHIXZLOODYGC-UHFFFAOYSA-N
MW362.34 g/mol
LogP3.74
Rot. Bonds2

About 4-[6-(1,3-thiazol-2-yl)-1H-indazol-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine

4-[6-(1,3-thiazol-2-yl)-1H-indazol-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 142624269) has the molecular formula C15H9F3N6S and a molecular weight of 362.34 g/mol. Its IUPAC name is 4-[6-(1,3-thiazol-2-yl)-1H-indazol-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[6-(1,3-thiazol-2-yl)-1H-indazol-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine
PubChem CID142624269
Molecular FormulaC15H9F3N6S
Molecular Weight362.34 g/mol
Exact Mass362.06
IUPAC Name4-[6-(1,3-thiazol-2-yl)-1H-indazol-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine
SMILESNc1ncc(C(F)(F)F)c(-c2n[nH]c3cc(-c4nccs4)ccc23)n1
InChIInChI=1S/C15H9F3N6S/c16-15(17,18)9-6-21-14(19)22-12(9)11-8-2-1-7(5-10(8)23-24-11)13-20-3-4-25-13/h1-6H,(H,23,24)(H2,19,21,22)
InChIKeyNNXHIXZLOODYGC-UHFFFAOYSA-N
XLogP3.74
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.34
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(1,3-thiazol-2-yl)-1H-indazol-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-[6-(1,3-thiazol-2-yl)-1H-indazol-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine (CID 142624269) is 4-[6-(1,3-thiazol-2-yl)-1H-indazol-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-[6-(1,3-thiazol-2-yl)-1H-indazol-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-[6-(1,3-thiazol-2-yl)-1H-indazol-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine is Nc1ncc(C(F)(F)F)c(-c2n[nH]c3cc(-c4nccs4)ccc23)n1.
What is the InChIKey of 4-[6-(1,3-thiazol-2-yl)-1H-indazol-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is NNXHIXZLOODYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3N6S/c16-15(17,18)9-6-21-14(19)22-12(9)11-8-2-1-7(5-10(8)23-24-11)13-20-3-4-25-13/h1-6H,(H,23,24)(H2,19,21,22).
What are the key properties of 4-[6-(1,3-thiazol-2-yl)-1H-indazol-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine?
4-[6-(1,3-thiazol-2-yl)-1H-indazol-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 362.34 g/mol, XLogP of 3.74, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(1,3-thiazol-2-yl)-1H-indazol-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 142624269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).