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

C11H11N3O2S — CID 78916507

IUPACmethyl 4-methyl-2-(pyridin-3-ylamino)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(Nc2cccnc2)nc1C
InChIInChI=1S/C11H11N3O2S/c1-7-9(10(15)16-2)17-11(13-7)14-8-4-3-5-12-6-8/h3-6H,1-2H3,(H,13,14)
InChIKeyOPFYOHOTRKTORJ-UHFFFAOYSA-N
MW249.30 g/mol
LogP2.38
Rot. Bonds3

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

methyl 4-methyl-2-(pyridin-3-ylamino)-1,3-thiazole-5-carboxylate (PubChem CID 78916507) has the molecular formula C11H11N3O2S and a molecular weight of 249.30 g/mol. Its IUPAC name is methyl 4-methyl-2-(pyridin-3-ylamino)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-2-(pyridin-3-ylamino)-1,3-thiazole-5-carboxylate
PubChem CID78916507
Molecular FormulaC11H11N3O2S
Molecular Weight249.30 g/mol
Exact Mass249.06
IUPAC Namemethyl 4-methyl-2-(pyridin-3-ylamino)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(Nc2cccnc2)nc1C
InChIInChI=1S/C11H11N3O2S/c1-7-9(10(15)16-2)17-11(13-7)14-8-4-3-5-12-6-8/h3-6H,1-2H3,(H,13,14)
InChIKeyOPFYOHOTRKTORJ-UHFFFAOYSA-N
XLogP2.38
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-(3-methoxyanilino)-4-methyl-1,3-thiazole-5-carboxylate
CID 78916420
methyl 2-[(6-methoxy-3-pyridinyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 78919754
methyl 2-(3-ethoxyanilino)-4-methyl-1,3-thiazole-5-carboxylate
CID 80569757
ethyl 2-anilino-4-methyl-1,3-thiazole-5-carboxylate
CID 807772
methyl 4-methyl-2-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxylate
CID 115327961
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
methyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 78916368
methyl 2-[[2-[(5-methoxycarbonyl-4-methyl-1,3-thiazol-2-yl)carbamoyl]benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 3601092
methyl 2-[[3-[(4,6-dimethylpyrimidin-2-yl)amino]benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 108804689
phenyl-[4-phenyl-2-(pyridin-3-ylamino)-1,3-thiazol-5-yl]methanone
CID 12568925
2-(pyridin-3-ylamino)-1,3-thiazole-5-carboxylic acid
CID 80570815

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2-(pyridin-3-ylamino)-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 4-methyl-2-(pyridin-3-ylamino)-1,3-thiazole-5-carboxylate (CID 78916507) is methyl 4-methyl-2-(pyridin-3-ylamino)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 4-methyl-2-(pyridin-3-ylamino)-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 4-methyl-2-(pyridin-3-ylamino)-1,3-thiazole-5-carboxylate is COC(=O)c1sc(Nc2cccnc2)nc1C.
What is the InChIKey of methyl 4-methyl-2-(pyridin-3-ylamino)-1,3-thiazole-5-carboxylate?
The InChIKey is OPFYOHOTRKTORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2S/c1-7-9(10(15)16-2)17-11(13-7)14-8-4-3-5-12-6-8/h3-6H,1-2H3,(H,13,14).
What are the key properties of methyl 4-methyl-2-(pyridin-3-ylamino)-1,3-thiazole-5-carboxylate?
methyl 4-methyl-2-(pyridin-3-ylamino)-1,3-thiazole-5-carboxylate has a molecular weight of 249.30 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-2-(pyridin-3-ylamino)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 78916507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).