methyl 2-[(6-ethoxy-3-pyridinyl)amino]-5-methyl-1,3-thiazole-4-carboxylate

C13H15N3O3S — CID 115424867

IUPACmethyl 2-[(6-ethoxy-3-pyridinyl)amino]-5-methyl-1,3-thiazole-4-carboxylate
SMILESCCOc1ccc(Nc2nc(C(=O)OC)c(C)s2)cn1
InChIInChI=1S/C13H15N3O3S/c1-4-19-10-6-5-9(7-14-10)15-13-16-11(8(2)20-13)12(17)18-3/h5-7H,4H2,1-3H3,(H,15,16)
InChIKeyJIKMQZULDHBDLZ-UHFFFAOYSA-N
MW293.35 g/mol
LogP2.78
Rot. Bonds5

About methyl 2-[(6-ethoxy-3-pyridinyl)amino]-5-methyl-1,3-thiazole-4-carboxylate

methyl 2-[(6-ethoxy-3-pyridinyl)amino]-5-methyl-1,3-thiazole-4-carboxylate (PubChem CID 115424867) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is methyl 2-[(6-ethoxy-3-pyridinyl)amino]-5-methyl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(6-ethoxy-3-pyridinyl)amino]-5-methyl-1,3-thiazole-4-carboxylate
PubChem CID115424867
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC Namemethyl 2-[(6-ethoxy-3-pyridinyl)amino]-5-methyl-1,3-thiazole-4-carboxylate
SMILESCCOc1ccc(Nc2nc(C(=O)OC)c(C)s2)cn1
InChIInChI=1S/C13H15N3O3S/c1-4-19-10-6-5-9(7-14-10)15-13-16-11(8(2)20-13)12(17)18-3/h5-7H,4H2,1-3H3,(H,15,16)
InChIKeyJIKMQZULDHBDLZ-UHFFFAOYSA-N
XLogP2.78
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 2-[(6-ethoxy-3-pyridinyl)amino]-5-methyl-1,3-thiazole-4-carboxylate with MolForge

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Related Compounds

methyl 5-methyl-2-[[6-(trifluoromethyl)-3-pyridinyl]amino]-1,3-thiazole-4-carboxylate
CID 82793400
methyl 5-methyl-2-(4-methylsulfanylanilino)-1,3-thiazole-4-carboxylate
CID 115423111
ethyl 2-(4-ethylanilino)-5-methyl-1,3-thiazole-4-carboxylate
CID 893133
methyl 2-(3-ethylanilino)-5-methyl-1,3-thiazole-4-carboxylate
CID 115423276
methyl 2-[(6-methoxy-3-pyridinyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 78919754
methyl 5-acetyl-2-[(6-methyl-3-pyridinyl)amino]-1,3-thiazole-4-carboxylate
CID 106697935
ethyl 5-methyl-2-(4-methylsulfanylanilino)-1,3-thiazole-4-carboxylate
CID 116526375
methyl 2-(4-bromo-3-iodoanilino)-5-methyl-1,3-thiazole-4-carboxylate
CID 114261659
methyl 5-amino-6-[(6-ethoxy-3-pyridinyl)amino]pyridine-2-carboxylate
CID 114407156
ethyl 2-[(6-methoxy-3-pyridinyl)amino]-1,3-thiazole-4-carboxylate
CID 78919756
methyl 2-(3-ethylpentan-3-ylamino)-5-methyl-1,3-thiazole-4-carboxylate
CID 113307209
ethyl 2-(4-bromo-3-fluoroanilino)-5-methyl-1,3-thiazole-4-carboxylate
CID 116526915

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(6-ethoxy-3-pyridinyl)amino]-5-methyl-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-[(6-ethoxy-3-pyridinyl)amino]-5-methyl-1,3-thiazole-4-carboxylate (CID 115424867) is methyl 2-[(6-ethoxy-3-pyridinyl)amino]-5-methyl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-[(6-ethoxy-3-pyridinyl)amino]-5-methyl-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-[(6-ethoxy-3-pyridinyl)amino]-5-methyl-1,3-thiazole-4-carboxylate is CCOc1ccc(Nc2nc(C(=O)OC)c(C)s2)cn1.
What is the InChIKey of methyl 2-[(6-ethoxy-3-pyridinyl)amino]-5-methyl-1,3-thiazole-4-carboxylate?
The InChIKey is JIKMQZULDHBDLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c1-4-19-10-6-5-9(7-14-10)15-13-16-11(8(2)20-13)12(17)18-3/h5-7H,4H2,1-3H3,(H,15,16).
What are the key properties of methyl 2-[(6-ethoxy-3-pyridinyl)amino]-5-methyl-1,3-thiazole-4-carboxylate?
methyl 2-[(6-ethoxy-3-pyridinyl)amino]-5-methyl-1,3-thiazole-4-carboxylate has a molecular weight of 293.35 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(6-ethoxy-3-pyridinyl)amino]-5-methyl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 115424867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).