2-(1-methylpyrazol-4-yl)-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole

C16H12N6S — CID 90120257

IUPAC2-(1-methylpyrazol-4-yl)-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole
SMILESCn1cc(-c2ncc(-c3cccc(-c4ncccn4)n3)s2)cn1
InChIInChI=1S/C16H12N6S/c1-22-10-11(8-20-22)16-19-9-14(23-16)12-4-2-5-13(21-12)15-17-6-3-7-18-15/h2-10H,1H3
InChIKeyFUGFBJSBVCDRHF-UHFFFAOYSA-N
MW320.38 g/mol
LogP3.06
Rot. Bonds3

About 2-(1-methylpyrazol-4-yl)-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole

2-(1-methylpyrazol-4-yl)-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole (PubChem CID 90120257) has the molecular formula C16H12N6S and a molecular weight of 320.38 g/mol. Its IUPAC name is 2-(1-methylpyrazol-4-yl)-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(1-methylpyrazol-4-yl)-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole
PubChem CID90120257
Molecular FormulaC16H12N6S
Molecular Weight320.38 g/mol
Exact Mass320.08
IUPAC Name2-(1-methylpyrazol-4-yl)-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole
SMILESCn1cc(-c2ncc(-c3cccc(-c4ncccn4)n3)s2)cn1
InChIInChI=1S/C16H12N6S/c1-22-10-11(8-20-22)16-19-9-14(23-16)12-4-2-5-13(21-12)15-17-6-3-7-18-15/h2-10H,1H3
InChIKeyFUGFBJSBVCDRHF-UHFFFAOYSA-N
XLogP3.06
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.38
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-4-yl)-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole?
The IUPAC name of 2-(1-methylpyrazol-4-yl)-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole (CID 90120257) is 2-(1-methylpyrazol-4-yl)-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole.
What is the SMILES notation for 2-(1-methylpyrazol-4-yl)-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole?
The canonical SMILES for 2-(1-methylpyrazol-4-yl)-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole is Cn1cc(-c2ncc(-c3cccc(-c4ncccn4)n3)s2)cn1.
What is the InChIKey of 2-(1-methylpyrazol-4-yl)-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole?
The InChIKey is FUGFBJSBVCDRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N6S/c1-22-10-11(8-20-22)16-19-9-14(23-16)12-4-2-5-13(21-12)15-17-6-3-7-18-15/h2-10H,1H3.
What are the key properties of 2-(1-methylpyrazol-4-yl)-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole?
2-(1-methylpyrazol-4-yl)-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole has a molecular weight of 320.38 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-4-yl)-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole is sourced from PubChem (CID 90120257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).