ethyl 3-[4-pyridin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazol-5-yl]propanoate

C17H17N5O2S — CID 134145577

IUPACethyl 3-[4-pyridin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazol-5-yl]propanoate
SMILESCCOC(=O)CCc1sc(Nc2ncccn2)nc1-c1ccccn1
InChIInChI=1S/C17H17N5O2S/c1-2-24-14(23)8-7-13-15(12-6-3-4-9-18-12)21-17(25-13)22-16-19-10-5-11-20-16/h3-6,9-11H,2,7-8H2,1H3,(H,19,20,21,22)
InChIKeyMDKBYNBEQAYDOP-UHFFFAOYSA-N
MW355.42 g/mol
LogP3.23
Rot. Bonds7

About ethyl 3-[4-pyridin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazol-5-yl]propanoate

ethyl 3-[4-pyridin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazol-5-yl]propanoate (PubChem CID 134145577) has the molecular formula C17H17N5O2S and a molecular weight of 355.42 g/mol. Its IUPAC name is ethyl 3-[4-pyridin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazol-5-yl]propanoate.

Molecular Properties

Compound Nameethyl 3-[4-pyridin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazol-5-yl]propanoate
PubChem CID134145577
Molecular FormulaC17H17N5O2S
Molecular Weight355.42 g/mol
Exact Mass355.11
IUPAC Nameethyl 3-[4-pyridin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazol-5-yl]propanoate
SMILESCCOC(=O)CCc1sc(Nc2ncccn2)nc1-c1ccccn1
InChIInChI=1S/C17H17N5O2S/c1-2-24-14(23)8-7-13-15(12-6-3-4-9-18-12)21-17(25-13)22-16-19-10-5-11-20-16/h3-6,9-11H,2,7-8H2,1H3,(H,19,20,21,22)
InChIKeyMDKBYNBEQAYDOP-UHFFFAOYSA-N
XLogP3.23
TPSA89.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

Ethyl 4-(pyridin-2-yl)-2-(pyrimidin-2-ylamino)thiazole-5-carboxylate
CID 71549255
Propan-2-yl 4-pyridin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxylate
CID 134141484
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
Methyl 3-[2-[(3-Methylphenyl)amino]-4-(4-pyridinyl)-1,3-thiazol-5-yl]propanoate
CID 44224879
4-(Pyridin-2-yl)-2-(pyrimidin-2-ylamino)thiazole-5-carboxylic acid
CID 86732530
Ethyl 4-(3-methyl-2-pyridinyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxylate
CID 134137559
Ethyl 4-pyridin-2-yl-2-(pyrimidin-2-ylmethylamino)-1,3-thiazole-5-carboxylate
CID 134150869
5-(ethoxymethyl)-4-pyridin-2-yl-N-(pyrimidin-2-ylmethyl)-1,3-thiazol-2-amine
CID 134151795
3-[4-Pyridin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazol-5-yl]propanoic acid
CID 134153249
Ethyl 2-[4-pyridin-2-yl-2-(pyrimidin-2-ylmethylamino)-1,3-thiazol-5-yl]acetate
CID 134155901
2-Methoxyethyl 2-[3-[[4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]phenyl]acetate
CID 11538870

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[4-pyridin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazol-5-yl]propanoate?
The IUPAC name of ethyl 3-[4-pyridin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazol-5-yl]propanoate (CID 134145577) is ethyl 3-[4-pyridin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazol-5-yl]propanoate.
What is the SMILES notation for ethyl 3-[4-pyridin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazol-5-yl]propanoate?
The canonical SMILES for ethyl 3-[4-pyridin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazol-5-yl]propanoate is CCOC(=O)CCc1sc(Nc2ncccn2)nc1-c1ccccn1.
What is the InChIKey of ethyl 3-[4-pyridin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazol-5-yl]propanoate?
The InChIKey is MDKBYNBEQAYDOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2S/c1-2-24-14(23)8-7-13-15(12-6-3-4-9-18-12)21-17(25-13)22-16-19-10-5-11-20-16/h3-6,9-11H,2,7-8H2,1H3,(H,19,20,21,22).
What are the key properties of ethyl 3-[4-pyridin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazol-5-yl]propanoate?
ethyl 3-[4-pyridin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazol-5-yl]propanoate has a molecular weight of 355.42 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[4-pyridin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazol-5-yl]propanoate is sourced from PubChem (CID 134145577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).