ethyl 2-[(6-anilinopyrimidin-4-yl)amino]-1,3-thiazole-5-carboxylate

C16H15N5O2S — CID 141349333

IUPACethyl 2-[(6-anilinopyrimidin-4-yl)amino]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1cnc(Nc2cc(Nc3ccccc3)ncn2)s1
InChIInChI=1S/C16H15N5O2S/c1-2-23-15(22)12-9-17-16(24-12)21-14-8-13(18-10-19-14)20-11-6-4-3-5-7-11/h3-10H,2H2,1H3,(H2,17,18,19,20,21)
InChIKeyWYKWOGBIURDDDL-UHFFFAOYSA-N
MW341.40 g/mol
LogP3.60
Rot. Bonds6

About ethyl 2-[(6-anilinopyrimidin-4-yl)amino]-1,3-thiazole-5-carboxylate

ethyl 2-[(6-anilinopyrimidin-4-yl)amino]-1,3-thiazole-5-carboxylate (PubChem CID 141349333) has the molecular formula C16H15N5O2S and a molecular weight of 341.40 g/mol. Its IUPAC name is ethyl 2-[(6-anilinopyrimidin-4-yl)amino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(6-anilinopyrimidin-4-yl)amino]-1,3-thiazole-5-carboxylate
PubChem CID141349333
Molecular FormulaC16H15N5O2S
Molecular Weight341.40 g/mol
Exact Mass341.09
IUPAC Nameethyl 2-[(6-anilinopyrimidin-4-yl)amino]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1cnc(Nc2cc(Nc3ccccc3)ncn2)s1
InChIInChI=1S/C16H15N5O2S/c1-2-23-15(22)12-9-17-16(24-12)21-14-8-13(18-10-19-14)20-11-6-4-3-5-7-11/h3-10H,2H2,1H3,(H2,17,18,19,20,21)
InChIKeyWYKWOGBIURDDDL-UHFFFAOYSA-N
XLogP3.60
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.40
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl 2-(pyridin-4-ylamino)-1,3-thiazole-5-carboxylate
CID 143301188
2-[[6-(benzylamino)pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxylic acid
CID 141349337
ethyl 4-[[6-(3,4-dimethoxyanilino)pyrimidin-4-yl]amino]benzoate
CID 112866544
ethyl 4-[(6-anilinopyrimidine-4-carbonyl)amino]benzoate
CID 109355772
ethyl 4-[[6-(methylamino)pyrimidin-4-yl]amino]benzoate
CID 122281743
ethyl 2-[(2-hydroxybenzoyl)amino]-1,3-thiazole-5-carboxylate
CID 57394846
ethyl 2-[[3,5-bis(phenylmethoxy)phenyl]methylamino]-1,3-thiazole-5-carboxylate
CID 163508236
ethyl 4-[[6-(pyridin-2-ylmethylamino)pyrimidin-4-yl]amino]benzoate
CID 112860689
ethyl 2-[[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]amino]-1,3-thiazole-5-carboxylate
CID 90287809
chlorobenzene;ethyl 2-chloro-1,3-thiazole-5-carboxylate
CID 20535196
ethyl 2-[(2-chloroacetyl)amino]-1,3-thiazole-5-carboxylate
CID 83306355
methyl 2-[[6-(2-ethoxycarbonylanilino)pyrimidin-4-yl]amino]benzoate
CID 112866797

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(6-anilinopyrimidin-4-yl)amino]-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-[(6-anilinopyrimidin-4-yl)amino]-1,3-thiazole-5-carboxylate (CID 141349333) is ethyl 2-[(6-anilinopyrimidin-4-yl)amino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-[(6-anilinopyrimidin-4-yl)amino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-[(6-anilinopyrimidin-4-yl)amino]-1,3-thiazole-5-carboxylate is CCOC(=O)c1cnc(Nc2cc(Nc3ccccc3)ncn2)s1.
What is the InChIKey of ethyl 2-[(6-anilinopyrimidin-4-yl)amino]-1,3-thiazole-5-carboxylate?
The InChIKey is WYKWOGBIURDDDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2S/c1-2-23-15(22)12-9-17-16(24-12)21-14-8-13(18-10-19-14)20-11-6-4-3-5-7-11/h3-10H,2H2,1H3,(H2,17,18,19,20,21).
What are the key properties of ethyl 2-[(6-anilinopyrimidin-4-yl)amino]-1,3-thiazole-5-carboxylate?
ethyl 2-[(6-anilinopyrimidin-4-yl)amino]-1,3-thiazole-5-carboxylate has a molecular weight of 341.40 g/mol, XLogP of 3.60, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(6-anilinopyrimidin-4-yl)amino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 141349333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).