ethyl 2-(2-amino-4-pyridinyl)-4-phenyl-1,3-thiazole-5-carboxylate

C17H15N3O2S — CID 90643537

IUPACethyl 2-(2-amino-4-pyridinyl)-4-phenyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(-c2ccnc(N)c2)nc1-c1ccccc1
InChIInChI=1S/C17H15N3O2S/c1-2-22-17(21)15-14(11-6-4-3-5-7-11)20-16(23-15)12-8-9-19-13(18)10-12/h3-10H,2H2,1H3,(H2,18,19)
InChIKeyRASJZYQBQWRVNB-UHFFFAOYSA-N
MW325.39 g/mol
LogP3.63
Rot. Bonds4

About ethyl 2-(2-amino-4-pyridinyl)-4-phenyl-1,3-thiazole-5-carboxylate

ethyl 2-(2-amino-4-pyridinyl)-4-phenyl-1,3-thiazole-5-carboxylate (PubChem CID 90643537) has the molecular formula C17H15N3O2S and a molecular weight of 325.39 g/mol. Its IUPAC name is ethyl 2-(2-amino-4-pyridinyl)-4-phenyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2-amino-4-pyridinyl)-4-phenyl-1,3-thiazole-5-carboxylate
PubChem CID90643537
Molecular FormulaC17H15N3O2S
Molecular Weight325.39 g/mol
Exact Mass325.09
IUPAC Nameethyl 2-(2-amino-4-pyridinyl)-4-phenyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(-c2ccnc(N)c2)nc1-c1ccccc1
InChIInChI=1S/C17H15N3O2S/c1-2-22-17(21)15-14(11-6-4-3-5-7-11)20-16(23-15)12-8-9-19-13(18)10-12/h3-10H,2H2,1H3,(H2,18,19)
InChIKeyRASJZYQBQWRVNB-UHFFFAOYSA-N
XLogP3.63
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 2-amino-4-phenyl-1,3-thiazole-5-carboxylate
CID 73239
4-Phenyl-2-(4-pyridyl)thiazole-5-carboxylic acid
CID 73012807
Ethyl 4-phenyl-2-(phenylamino)thiazole-5-carboxylate
CID 10853437
Ethyl 4-(pyridin-2-yl)-2-(pyrimidin-2-ylamino)thiazole-5-carboxylate
CID 71549255
Ethyl 2-(pyrimidin-2-ylamino)-4-[4-(trifluoromethyl)pyridin-2-yl]-1,3-thiazole-5-carboxylate
CID 134154875
2-[[[(6-Methyl-2-pyridinyl)amino]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester
CID 990429
Ethyl 2-({[(4-methyl-2-pyridinyl)amino]carbothioyl}amino)-5-phenyl-3-thiophenecarboxylate
CID 990430
Ethyl 4-methyl-2-(pyridine-3-amido)-1,3-thiazole-5-carboxylate
CID 4124935
Ethyl 2-(1-anilinoethyl)-4-phenyl-1,3-thiazole-5-carboxylate
CID 44529079
Ethyl 4-(2-chlorophenyl)-2-pyridin-4-yl-1,3-thiazole-5-carboxylate
CID 90643515
Ethyl 4-(2,4-dichlorophenyl)-2-pyridin-4-yl-1,3-thiazole-5-carboxylate
CID 90643518
Ethyl 4-(4-chlorophenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole-5-carboxylate
CID 118709538

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-amino-4-pyridinyl)-4-phenyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-(2-amino-4-pyridinyl)-4-phenyl-1,3-thiazole-5-carboxylate (CID 90643537) is ethyl 2-(2-amino-4-pyridinyl)-4-phenyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-(2-amino-4-pyridinyl)-4-phenyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-(2-amino-4-pyridinyl)-4-phenyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(-c2ccnc(N)c2)nc1-c1ccccc1.
What is the InChIKey of ethyl 2-(2-amino-4-pyridinyl)-4-phenyl-1,3-thiazole-5-carboxylate?
The InChIKey is RASJZYQBQWRVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2S/c1-2-22-17(21)15-14(11-6-4-3-5-7-11)20-16(23-15)12-8-9-19-13(18)10-12/h3-10H,2H2,1H3,(H2,18,19).
What are the key properties of ethyl 2-(2-amino-4-pyridinyl)-4-phenyl-1,3-thiazole-5-carboxylate?
ethyl 2-(2-amino-4-pyridinyl)-4-phenyl-1,3-thiazole-5-carboxylate has a molecular weight of 325.39 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-amino-4-pyridinyl)-4-phenyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 90643537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).