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

C16H15N5O2S — CID 134148557

IUPACethyl 2-[4-pyridin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazol-5-yl]acetate
SMILESCCOC(=O)Cc1sc(Nc2ncccn2)nc1-c1ccccn1
InChIInChI=1S/C16H15N5O2S/c1-2-23-13(22)10-12-14(11-6-3-4-7-17-11)20-16(24-12)21-15-18-8-5-9-19-15/h3-9H,2,10H2,1H3,(H,18,19,20,21)
InChIKeyFGPFSPMCTVBPPH-UHFFFAOYSA-N
MW341.40 g/mol
LogP2.84
Rot. Bonds6

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

ethyl 2-[4-pyridin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazol-5-yl]acetate (PubChem CID 134148557) has the molecular formula C16H15N5O2S and a molecular weight of 341.40 g/mol. Its IUPAC name is ethyl 2-[4-pyridin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazol-5-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-pyridin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazol-5-yl]acetate
PubChem CID134148557
Molecular FormulaC16H15N5O2S
Molecular Weight341.40 g/mol
Exact Mass341.09
IUPAC Nameethyl 2-[4-pyridin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazol-5-yl]acetate
SMILESCCOC(=O)Cc1sc(Nc2ncccn2)nc1-c1ccccn1
InChIInChI=1S/C16H15N5O2S/c1-2-23-13(22)10-12-14(11-6-3-4-7-17-11)20-16(24-12)21-15-18-8-5-9-19-15/h3-9H,2,10H2,1H3,(H,18,19,20,21)
InChIKeyFGPFSPMCTVBPPH-UHFFFAOYSA-N
XLogP2.84
TPSA89.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.40
LogP ≤ 52.84
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
5-(ethoxymethyl)-4-pyridin-2-yl-N-pyrimidin-2-yl-1,3-thiazol-2-amine
CID 134154886
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
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-(2-{[2-(1,3-Thiazol-4-yl)ethyl]amino}pyrimidin-4-yl)isonicotinic acid
CID 70768554
Ethyl [4-phenyl-2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]acetate
CID 6624893
Ethyl 2-[4-methyl-2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]anilino]-1,3-thiazol-5-yl]acetate
CID 139215781

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-pyridin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazol-5-yl]acetate?
The IUPAC name of ethyl 2-[4-pyridin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazol-5-yl]acetate (CID 134148557) is ethyl 2-[4-pyridin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazol-5-yl]acetate.
What is the SMILES notation for ethyl 2-[4-pyridin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazol-5-yl]acetate?
The canonical SMILES for ethyl 2-[4-pyridin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazol-5-yl]acetate is CCOC(=O)Cc1sc(Nc2ncccn2)nc1-c1ccccn1.
What is the InChIKey of ethyl 2-[4-pyridin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazol-5-yl]acetate?
The InChIKey is FGPFSPMCTVBPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2S/c1-2-23-13(22)10-12-14(11-6-3-4-7-17-11)20-16(24-12)21-15-18-8-5-9-19-15/h3-9H,2,10H2,1H3,(H,18,19,20,21).
What are the key properties of ethyl 2-[4-pyridin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazol-5-yl]acetate?
ethyl 2-[4-pyridin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazol-5-yl]acetate has a molecular weight of 341.40 g/mol, XLogP of 2.84, 6 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-ylamino)-1,3-thiazol-5-yl]acetate is sourced from PubChem (CID 134148557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).