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

C12H13N3O3S — CID 78919754

IUPACmethyl 2-[(6-methoxy-3-pyridinyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(Nc2ccc(OC)nc2)nc1C
InChIInChI=1S/C12H13N3O3S/c1-7-10(11(16)18-3)19-12(14-7)15-8-4-5-9(17-2)13-6-8/h4-6H,1-3H3,(H,14,15)
InChIKeyVZUONBIFLUAIRD-UHFFFAOYSA-N
MW279.32 g/mol
LogP2.39
Rot. Bonds4

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

methyl 2-[(6-methoxy-3-pyridinyl)amino]-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 78919754) has the molecular formula C12H13N3O3S and a molecular weight of 279.32 g/mol. Its IUPAC name is methyl 2-[(6-methoxy-3-pyridinyl)amino]-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(6-methoxy-3-pyridinyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID78919754
Molecular FormulaC12H13N3O3S
Molecular Weight279.32 g/mol
Exact Mass279.07
IUPAC Namemethyl 2-[(6-methoxy-3-pyridinyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(Nc2ccc(OC)nc2)nc1C
InChIInChI=1S/C12H13N3O3S/c1-7-10(11(16)18-3)19-12(14-7)15-8-4-5-9(17-2)13-6-8/h4-6H,1-3H3,(H,14,15)
InChIKeyVZUONBIFLUAIRD-UHFFFAOYSA-N
XLogP2.39
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

methyl 2-(3-methoxyanilino)-4-methyl-1,3-thiazole-5-carboxylate
CID 78916420
methyl 4-methyl-2-(pyridin-3-ylamino)-1,3-thiazole-5-carboxylate
CID 78916507
2-[(6-methoxy-3-pyridinyl)amino]-1,3-thiazole-5-carboxylic acid
CID 80571966
methyl 2-(3-ethoxyanilino)-4-methyl-1,3-thiazole-5-carboxylate
CID 80569757
methyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 78916368
methyl 2-[(6-ethoxy-3-pyridinyl)amino]-5-methyl-1,3-thiazole-4-carboxylate
CID 115424867
ethyl 2-[(6-methoxy-3-pyridinyl)amino]-1,3-thiazole-4-carboxylate
CID 78919756
methyl 5-acetyl-2-[(6-methyl-3-pyridinyl)amino]-1,3-thiazole-4-carboxylate
CID 106697935
methyl 2-(2-chloroanilino)-4-methyl-1,3-thiazole-5-carboxylate
CID 78916398
bis(2-anilino-4-methyl-1,3-thiazol-5-yl)methanone
CID 87664196
ethyl 2-anilino-4-methyl-1,3-thiazole-5-carboxylate
CID 807772
methyl 4-chloro-2-(4-fluoroanilino)-1,3-thiazole-5-carboxylate
CID 60845269

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(6-methoxy-3-pyridinyl)amino]-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-[(6-methoxy-3-pyridinyl)amino]-4-methyl-1,3-thiazole-5-carboxylate (CID 78919754) is methyl 2-[(6-methoxy-3-pyridinyl)amino]-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-[(6-methoxy-3-pyridinyl)amino]-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-[(6-methoxy-3-pyridinyl)amino]-4-methyl-1,3-thiazole-5-carboxylate is COC(=O)c1sc(Nc2ccc(OC)nc2)nc1C.
What is the InChIKey of methyl 2-[(6-methoxy-3-pyridinyl)amino]-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is VZUONBIFLUAIRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3S/c1-7-10(11(16)18-3)19-12(14-7)15-8-4-5-9(17-2)13-6-8/h4-6H,1-3H3,(H,14,15).
What are the key properties of methyl 2-[(6-methoxy-3-pyridinyl)amino]-4-methyl-1,3-thiazole-5-carboxylate?
methyl 2-[(6-methoxy-3-pyridinyl)amino]-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 279.32 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(6-methoxy-3-pyridinyl)amino]-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 78919754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).