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

C17H17N5O2S — CID 134155901

IUPACethyl 2-[4-pyridin-2-yl-2-(pyrimidin-2-ylmethylamino)-1,3-thiazol-5-yl]acetate
SMILESCCOC(=O)Cc1sc(NCc2ncccn2)nc1-c1ccccn1
InChIInChI=1S/C17H17N5O2S/c1-2-24-15(23)10-13-16(12-6-3-4-7-18-12)22-17(25-13)21-11-14-19-8-5-9-20-14/h3-9H,2,10-11H2,1H3,(H,21,22)
InChIKeyAOJLEHDSKBLTEF-UHFFFAOYSA-N
MW355.42 g/mol
LogP2.71
Rot. Bonds7

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

ethyl 2-[4-pyridin-2-yl-2-(pyrimidin-2-ylmethylamino)-1,3-thiazol-5-yl]acetate (PubChem CID 134155901) has the molecular formula C17H17N5O2S and a molecular weight of 355.42 g/mol. Its IUPAC name is ethyl 2-[4-pyridin-2-yl-2-(pyrimidin-2-ylmethylamino)-1,3-thiazol-5-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-pyridin-2-yl-2-(pyrimidin-2-ylmethylamino)-1,3-thiazol-5-yl]acetate
PubChem CID134155901
Molecular FormulaC17H17N5O2S
Molecular Weight355.42 g/mol
Exact Mass355.11
IUPAC Nameethyl 2-[4-pyridin-2-yl-2-(pyrimidin-2-ylmethylamino)-1,3-thiazol-5-yl]acetate
SMILESCCOC(=O)Cc1sc(NCc2ncccn2)nc1-c1ccccn1
InChIInChI=1S/C17H17N5O2S/c1-2-24-15(23)10-13-16(12-6-3-4-7-18-12)22-17(25-13)21-11-14-19-8-5-9-20-14/h3-9H,2,10-11H2,1H3,(H,21,22)
InChIKeyAOJLEHDSKBLTEF-UHFFFAOYSA-N
XLogP2.71
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 ≤ 52.71
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 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
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 [4-phenyl-2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]acetate
CID 6624893
2-Methoxyethyl 2-[3-[[4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]phenyl]acetate
CID 11538870
2-Methoxyethyl 2-[3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]phenyl]acetate
CID 11611020
2-Methoxyethyl 2-[3-[[4-[2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]phenyl]acetate
CID 11640503
2-(5-Methyl-1,3-thiazol-4-yl)ethyl 2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetate
CID 58904886

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-pyridin-2-yl-2-(pyrimidin-2-ylmethylamino)-1,3-thiazol-5-yl]acetate?
The IUPAC name of ethyl 2-[4-pyridin-2-yl-2-(pyrimidin-2-ylmethylamino)-1,3-thiazol-5-yl]acetate (CID 134155901) is ethyl 2-[4-pyridin-2-yl-2-(pyrimidin-2-ylmethylamino)-1,3-thiazol-5-yl]acetate.
What is the SMILES notation for ethyl 2-[4-pyridin-2-yl-2-(pyrimidin-2-ylmethylamino)-1,3-thiazol-5-yl]acetate?
The canonical SMILES for ethyl 2-[4-pyridin-2-yl-2-(pyrimidin-2-ylmethylamino)-1,3-thiazol-5-yl]acetate is CCOC(=O)Cc1sc(NCc2ncccn2)nc1-c1ccccn1.
What is the InChIKey of ethyl 2-[4-pyridin-2-yl-2-(pyrimidin-2-ylmethylamino)-1,3-thiazol-5-yl]acetate?
The InChIKey is AOJLEHDSKBLTEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2S/c1-2-24-15(23)10-13-16(12-6-3-4-7-18-12)22-17(25-13)21-11-14-19-8-5-9-20-14/h3-9H,2,10-11H2,1H3,(H,21,22).
What are the key properties of ethyl 2-[4-pyridin-2-yl-2-(pyrimidin-2-ylmethylamino)-1,3-thiazol-5-yl]acetate?
ethyl 2-[4-pyridin-2-yl-2-(pyrimidin-2-ylmethylamino)-1,3-thiazol-5-yl]acetate has a molecular weight of 355.42 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-pyridin-2-yl-2-(pyrimidin-2-ylmethylamino)-1,3-thiazol-5-yl]acetate is sourced from PubChem (CID 134155901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).