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

C11H11ClN4O2S — CID 50899594

IUPACethyl 2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1cnc(Nc2cc(Cl)nc(C)n2)s1
InChIInChI=1S/C11H11ClN4O2S/c1-3-18-10(17)7-5-13-11(19-7)16-9-4-8(12)14-6(2)15-9/h4-5H,3H2,1-2H3,(H,13,14,15,16)
InChIKeyGYALFPZEXQSYGE-UHFFFAOYSA-N
MW298.76 g/mol
LogP2.82
Rot. Bonds4

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

ethyl 2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazole-5-carboxylate (PubChem CID 50899594) has the molecular formula C11H11ClN4O2S and a molecular weight of 298.76 g/mol. Its IUPAC name is ethyl 2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazole-5-carboxylate
PubChem CID50899594
Molecular FormulaC11H11ClN4O2S
Molecular Weight298.76 g/mol
Exact Mass298.03
IUPAC Nameethyl 2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1cnc(Nc2cc(Cl)nc(C)n2)s1
InChIInChI=1S/C11H11ClN4O2S/c1-3-18-10(17)7-5-13-11(19-7)16-9-4-8(12)14-6(2)15-9/h4-5H,3H2,1-2H3,(H,13,14,15,16)
InChIKeyGYALFPZEXQSYGE-UHFFFAOYSA-N
XLogP2.82
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.76
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazole-5-carboxylate (CID 50899594) is ethyl 2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazole-5-carboxylate is CCOC(=O)c1cnc(Nc2cc(Cl)nc(C)n2)s1.
What is the InChIKey of ethyl 2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazole-5-carboxylate?
The InChIKey is GYALFPZEXQSYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O2S/c1-3-18-10(17)7-5-13-11(19-7)16-9-4-8(12)14-6(2)15-9/h4-5H,3H2,1-2H3,(H,13,14,15,16).
What are the key properties of ethyl 2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazole-5-carboxylate?
ethyl 2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazole-5-carboxylate has a molecular weight of 298.76 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 50899594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).