ethyl 4-methyl-2-(pyridin-2-ylamino)-1,3-thiazole-5-carboxylate

C12H13N3O2S — CID 2993987

IUPACethyl 4-methyl-2-(pyridin-2-ylamino)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(Nc2ccccn2)nc1C
InChIInChI=1S/C12H13N3O2S/c1-3-17-11(16)10-8(2)14-12(18-10)15-9-6-4-5-7-13-9/h4-7H,3H2,1-2H3,(H,13,14,15)
InChIKeyGETZTFOXMXDGPW-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.77
Rot. Bonds4

About ethyl 4-methyl-2-(pyridin-2-ylamino)-1,3-thiazole-5-carboxylate

ethyl 4-methyl-2-(pyridin-2-ylamino)-1,3-thiazole-5-carboxylate (PubChem CID 2993987) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is ethyl 4-methyl-2-(pyridin-2-ylamino)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-2-(pyridin-2-ylamino)-1,3-thiazole-5-carboxylate
PubChem CID2993987
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC Nameethyl 4-methyl-2-(pyridin-2-ylamino)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(Nc2ccccn2)nc1C
InChIInChI=1S/C12H13N3O2S/c1-3-17-11(16)10-8(2)14-12(18-10)15-9-6-4-5-7-13-9/h4-7H,3H2,1-2H3,(H,13,14,15)
InChIKeyGETZTFOXMXDGPW-UHFFFAOYSA-N
XLogP2.77
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-2-(pyridin-2-ylamino)-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 4-methyl-2-(pyridin-2-ylamino)-1,3-thiazole-5-carboxylate (CID 2993987) is ethyl 4-methyl-2-(pyridin-2-ylamino)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 4-methyl-2-(pyridin-2-ylamino)-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 4-methyl-2-(pyridin-2-ylamino)-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(Nc2ccccn2)nc1C.
What is the InChIKey of ethyl 4-methyl-2-(pyridin-2-ylamino)-1,3-thiazole-5-carboxylate?
The InChIKey is GETZTFOXMXDGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c1-3-17-11(16)10-8(2)14-12(18-10)15-9-6-4-5-7-13-9/h4-7H,3H2,1-2H3,(H,13,14,15).
What are the key properties of ethyl 4-methyl-2-(pyridin-2-ylamino)-1,3-thiazole-5-carboxylate?
ethyl 4-methyl-2-(pyridin-2-ylamino)-1,3-thiazole-5-carboxylate has a molecular weight of 263.32 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-2-(pyridin-2-ylamino)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 2993987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).