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

C11H11N3O2S — CID 107587138

IUPACmethyl 2-[(5-methyl-3-pyridinyl)amino]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc(Nc2cncc(C)c2)n1
InChIInChI=1S/C11H11N3O2S/c1-7-3-8(5-12-4-7)13-11-14-9(6-17-11)10(15)16-2/h3-6H,1-2H3,(H,13,14)
InChIKeyRMMLQWVFLLMKSE-UHFFFAOYSA-N
MW249.30 g/mol
LogP2.38
Rot. Bonds3

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

methyl 2-[(5-methyl-3-pyridinyl)amino]-1,3-thiazole-4-carboxylate (PubChem CID 107587138) has the molecular formula C11H11N3O2S and a molecular weight of 249.30 g/mol. Its IUPAC name is methyl 2-[(5-methyl-3-pyridinyl)amino]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(5-methyl-3-pyridinyl)amino]-1,3-thiazole-4-carboxylate
PubChem CID107587138
Molecular FormulaC11H11N3O2S
Molecular Weight249.30 g/mol
Exact Mass249.06
IUPAC Namemethyl 2-[(5-methyl-3-pyridinyl)amino]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc(Nc2cncc(C)c2)n1
InChIInChI=1S/C11H11N3O2S/c1-7-3-8(5-12-4-7)13-11-14-9(6-17-11)10(15)16-2/h3-6H,1-2H3,(H,13,14)
InChIKeyRMMLQWVFLLMKSE-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-(3,5-difluoroanilino)-1,3-thiazole-4-carboxylate
CID 115423273
methyl 2-(3-fluoroanilino)-1,3-thiazole-4-carboxylate
CID 115423227
methyl 2-(4-propan-2-ylanilino)-1,3-thiazole-4-carboxylate
CID 113306613
methyl 2-[4-(dimethylamino)anilino]-1,3-thiazole-4-carboxylate
CID 115423636
methyl 2-(2-fluoro-5-methylanilino)-1,3-thiazole-4-carboxylate
CID 115423315
methyl 5-amino-6-[(5-methyl-3-pyridinyl)amino]pyridine-2-carboxylate
CID 107586488
methyl 2-(2-chloro-4-methylanilino)-1,3-thiazole-4-carboxylate
CID 113306688
methyl 2-(4-methylsulfonylanilino)-1,3-thiazole-4-carboxylate
CID 115423211
methyl 2-(2-methylanilino)-1,3-thiazole-4-carboxylate
CID 115423299
methyl 2-[3-chloro-5-(trifluoromethyl)anilino]-1,3-thiazole-4-carboxylate
CID 116700994
methyl 2-(3-ethoxyanilino)-1,3-thiazole-4-carboxylate
CID 115423970
methyl 2-(2-bromo-3-methylanilino)-1,3-thiazole-4-carboxylate
CID 113307343

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-methyl-3-pyridinyl)amino]-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-[(5-methyl-3-pyridinyl)amino]-1,3-thiazole-4-carboxylate (CID 107587138) is methyl 2-[(5-methyl-3-pyridinyl)amino]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-[(5-methyl-3-pyridinyl)amino]-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-[(5-methyl-3-pyridinyl)amino]-1,3-thiazole-4-carboxylate is COC(=O)c1csc(Nc2cncc(C)c2)n1.
What is the InChIKey of methyl 2-[(5-methyl-3-pyridinyl)amino]-1,3-thiazole-4-carboxylate?
The InChIKey is RMMLQWVFLLMKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2S/c1-7-3-8(5-12-4-7)13-11-14-9(6-17-11)10(15)16-2/h3-6H,1-2H3,(H,13,14).
What are the key properties of methyl 2-[(5-methyl-3-pyridinyl)amino]-1,3-thiazole-4-carboxylate?
methyl 2-[(5-methyl-3-pyridinyl)amino]-1,3-thiazole-4-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 2-[(5-methyl-3-pyridinyl)amino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 107587138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).