propan-2-yl 4-pyrimidin-4-yl-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxylate

C15H14N6O2S — CID 134155117

IUPACpropan-2-yl 4-pyrimidin-4-yl-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxylate
SMILESCC(C)OC(=O)c1sc(Nc2ncccn2)nc1-c1ccncn1
InChIInChI=1S/C15H14N6O2S/c1-9(2)23-13(22)12-11(10-4-7-16-8-19-10)20-15(24-12)21-14-17-5-3-6-18-14/h3-9H,1-2H3,(H,17,18,20,21)
InChIKeyQGLMSJCIXSYWLS-UHFFFAOYSA-N
MW342.38 g/mol
LogP2.70
Rot. Bonds5

About propan-2-yl 4-pyrimidin-4-yl-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxylate

propan-2-yl 4-pyrimidin-4-yl-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxylate (PubChem CID 134155117) has the molecular formula C15H14N6O2S and a molecular weight of 342.38 g/mol. Its IUPAC name is propan-2-yl 4-pyrimidin-4-yl-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-pyrimidin-4-yl-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxylate
PubChem CID134155117
Molecular FormulaC15H14N6O2S
Molecular Weight342.38 g/mol
Exact Mass342.09
IUPAC Namepropan-2-yl 4-pyrimidin-4-yl-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxylate
SMILESCC(C)OC(=O)c1sc(Nc2ncccn2)nc1-c1ccncn1
InChIInChI=1S/C15H14N6O2S/c1-9(2)23-13(22)12-11(10-4-7-16-8-19-10)20-15(24-12)21-14-17-5-3-6-18-14/h3-9H,1-2H3,(H,17,18,20,21)
InChIKeyQGLMSJCIXSYWLS-UHFFFAOYSA-N
XLogP2.70
TPSA102.78 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-pyrimidin-4-yl-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxylate?
The IUPAC name of propan-2-yl 4-pyrimidin-4-yl-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxylate (CID 134155117) is propan-2-yl 4-pyrimidin-4-yl-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for propan-2-yl 4-pyrimidin-4-yl-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxylate?
The canonical SMILES for propan-2-yl 4-pyrimidin-4-yl-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxylate is CC(C)OC(=O)c1sc(Nc2ncccn2)nc1-c1ccncn1.
What is the InChIKey of propan-2-yl 4-pyrimidin-4-yl-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxylate?
The InChIKey is QGLMSJCIXSYWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6O2S/c1-9(2)23-13(22)12-11(10-4-7-16-8-19-10)20-15(24-12)21-14-17-5-3-6-18-14/h3-9H,1-2H3,(H,17,18,20,21).
What are the key properties of propan-2-yl 4-pyrimidin-4-yl-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxylate?
propan-2-yl 4-pyrimidin-4-yl-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxylate has a molecular weight of 342.38 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-pyrimidin-4-yl-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 134155117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).