ethyl 2-amino-4-pyrimidin-4-yl-1,3-thiazole-5-carboxylate

C10H10N4O2S — CID 59864705

IUPACethyl 2-amino-4-pyrimidin-4-yl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(N)nc1-c1ccncn1
InChIInChI=1S/C10H10N4O2S/c1-2-16-9(15)8-7(14-10(11)17-8)6-3-4-12-5-13-6/h3-5H,2H2,1H3,(H2,11,14)
InChIKeyZWHYGYUCGUWDES-UHFFFAOYSA-N
MW250.28 g/mol
LogP1.36
Rot. Bonds3

About ethyl 2-amino-4-pyrimidin-4-yl-1,3-thiazole-5-carboxylate

ethyl 2-amino-4-pyrimidin-4-yl-1,3-thiazole-5-carboxylate (PubChem CID 59864705) has the molecular formula C10H10N4O2S and a molecular weight of 250.28 g/mol. Its IUPAC name is ethyl 2-amino-4-pyrimidin-4-yl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-4-pyrimidin-4-yl-1,3-thiazole-5-carboxylate
PubChem CID59864705
Molecular FormulaC10H10N4O2S
Molecular Weight250.28 g/mol
Exact Mass250.05
IUPAC Nameethyl 2-amino-4-pyrimidin-4-yl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(N)nc1-c1ccncn1
InChIInChI=1S/C10H10N4O2S/c1-2-16-9(15)8-7(14-10(11)17-8)6-3-4-12-5-13-6/h3-5H,2H2,1H3,(H2,11,14)
InChIKeyZWHYGYUCGUWDES-UHFFFAOYSA-N
XLogP1.36
TPSA90.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-4-pyrimidin-4-yl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-amino-4-pyrimidin-4-yl-1,3-thiazole-5-carboxylate (CID 59864705) is ethyl 2-amino-4-pyrimidin-4-yl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-amino-4-pyrimidin-4-yl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-amino-4-pyrimidin-4-yl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(N)nc1-c1ccncn1.
What is the InChIKey of ethyl 2-amino-4-pyrimidin-4-yl-1,3-thiazole-5-carboxylate?
The InChIKey is ZWHYGYUCGUWDES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2S/c1-2-16-9(15)8-7(14-10(11)17-8)6-3-4-12-5-13-6/h3-5H,2H2,1H3,(H2,11,14).
What are the key properties of ethyl 2-amino-4-pyrimidin-4-yl-1,3-thiazole-5-carboxylate?
ethyl 2-amino-4-pyrimidin-4-yl-1,3-thiazole-5-carboxylate has a molecular weight of 250.28 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-4-pyrimidin-4-yl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 59864705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).