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

C15H13N5O2S — CID 71549255

IUPACethyl 4-pyridin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(Nc2ncccn2)nc1-c1ccccn1
InChIInChI=1S/C15H13N5O2S/c1-2-22-13(21)12-11(10-6-3-4-7-16-10)19-15(23-12)20-14-17-8-5-9-18-14/h3-9H,2H2,1H3,(H,17,18,19,20)
InChIKeyPWVAPGWIKKAAMS-UHFFFAOYSA-N
MW327.37 g/mol
LogP2.92
Rot. Bonds5

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

ethyl 4-pyridin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxylate (PubChem CID 71549255) has the molecular formula C15H13N5O2S and a molecular weight of 327.37 g/mol. Its IUPAC name is ethyl 4-pyridin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-pyridin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxylate
PubChem CID71549255
Molecular FormulaC15H13N5O2S
Molecular Weight327.37 g/mol
Exact Mass327.08
IUPAC Nameethyl 4-pyridin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(Nc2ncccn2)nc1-c1ccccn1
InChIInChI=1S/C15H13N5O2S/c1-2-22-13(21)12-11(10-6-3-4-7-16-10)19-15(23-12)20-14-17-8-5-9-18-14/h3-9H,2H2,1H3,(H,17,18,19,20)
InChIKeyPWVAPGWIKKAAMS-UHFFFAOYSA-N
XLogP2.92
TPSA89.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.37
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

Propan-2-yl 4-pyridin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxylate
CID 134141484
Ethyl 4-pyrazin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxylate
CID 134143796
Propan-2-yl 2-[propan-2-yloxycarbonyloxymethyl(pyrimidin-2-yl)amino]-4-pyrazin-2-yl-1,3-thiazole-5-carboxylate
CID 134143887
Propan-2-yl 2-[bis[(2-methylpropan-2-yl)oxy]phosphoryloxymethyl-pyrimidin-2-ylamino]-4-pyridin-2-yl-1,3-thiazole-5-carboxylate
CID 134153310
Ethyl 2-(pyrimidin-2-ylamino)-4-[4-(trifluoromethyl)pyridin-2-yl]-1,3-thiazole-5-carboxylate
CID 134154875
Propan-2-yl 4-pyrazin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxylate
CID 134156427
Ethyl 3-[4-pyridin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazol-5-yl]propanoate
CID 134145577
Ethyl 2-[4-pyridin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazol-5-yl]acetate
CID 134148557
5-(ethoxymethyl)-4-pyridin-2-yl-N-pyrimidin-2-yl-1,3-thiazol-2-amine
CID 134154886
Propan-2-yl 4-pyrimidin-4-yl-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxylate
CID 134155117
Ethyl 4-pyrimidin-4-yl-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxylate
CID 134156838
Methyl 3-amino-6-(pyrimidin-2-ylamino)thieno[3,2-b]pyridine-2-carboxylate
CID 50907063

Frequently Asked Questions

What is the IUPAC name of ethyl 4-pyridin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 4-pyridin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxylate (CID 71549255) is ethyl 4-pyridin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 4-pyridin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 4-pyridin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(Nc2ncccn2)nc1-c1ccccn1.
What is the InChIKey of ethyl 4-pyridin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxylate?
The InChIKey is PWVAPGWIKKAAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O2S/c1-2-22-13(21)12-11(10-6-3-4-7-16-10)19-15(23-12)20-14-17-8-5-9-18-14/h3-9H,2H2,1H3,(H,17,18,19,20).
What are the key properties of ethyl 4-pyridin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxylate?
ethyl 4-pyridin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxylate has a molecular weight of 327.37 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-pyridin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 71549255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).