4-pyridin-2-yl-N-pyrimidin-2-yl-1,3-thiazol-2-amine

C12H9N5S — CID 746607

IUPAC4-pyridin-2-yl-N-pyrimidin-2-yl-1,3-thiazol-2-amine
SMILESc1ccc(-c2csc(Nc3ncccn3)n2)nc1
InChIInChI=1S/C12H9N5S/c1-2-5-13-9(4-1)10-8-18-12(16-10)17-11-14-6-3-7-15-11/h1-8H,(H,14,15,16,17)
InChIKeyQAINFPRHEISSOY-UHFFFAOYSA-N
MW255.31 g/mol
LogP2.74
Rot. Bonds3

About 4-pyridin-2-yl-N-pyrimidin-2-yl-1,3-thiazol-2-amine

4-pyridin-2-yl-N-pyrimidin-2-yl-1,3-thiazol-2-amine (PubChem CID 746607) has the molecular formula C12H9N5S and a molecular weight of 255.31 g/mol. Its IUPAC name is 4-pyridin-2-yl-N-pyrimidin-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-pyridin-2-yl-N-pyrimidin-2-yl-1,3-thiazol-2-amine
PubChem CID746607
Molecular FormulaC12H9N5S
Molecular Weight255.31 g/mol
Exact Mass255.06
IUPAC Name4-pyridin-2-yl-N-pyrimidin-2-yl-1,3-thiazol-2-amine
SMILESc1ccc(-c2csc(Nc3ncccn3)n2)nc1
InChIInChI=1S/C12H9N5S/c1-2-5-13-9(4-1)10-8-18-12(16-10)17-11-14-6-3-7-15-11/h1-8H,(H,14,15,16,17)
InChIKeyQAINFPRHEISSOY-UHFFFAOYSA-N
XLogP2.74
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-pyridin-2-yl-N-pyrimidin-2-yl-1,3-thiazol-2-amine?
The IUPAC name of 4-pyridin-2-yl-N-pyrimidin-2-yl-1,3-thiazol-2-amine (CID 746607) is 4-pyridin-2-yl-N-pyrimidin-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-pyridin-2-yl-N-pyrimidin-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for 4-pyridin-2-yl-N-pyrimidin-2-yl-1,3-thiazol-2-amine is c1ccc(-c2csc(Nc3ncccn3)n2)nc1.
What is the InChIKey of 4-pyridin-2-yl-N-pyrimidin-2-yl-1,3-thiazol-2-amine?
The InChIKey is QAINFPRHEISSOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N5S/c1-2-5-13-9(4-1)10-8-18-12(16-10)17-11-14-6-3-7-15-11/h1-8H,(H,14,15,16,17).
What are the key properties of 4-pyridin-2-yl-N-pyrimidin-2-yl-1,3-thiazol-2-amine?
4-pyridin-2-yl-N-pyrimidin-2-yl-1,3-thiazol-2-amine has a molecular weight of 255.31 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-2-yl-N-pyrimidin-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 746607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).