methyl 5-amino-6-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]pyridine-2-carboxylate

C13H16N4O2S — CID 114406679

IUPACmethyl 5-amino-6-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(N)c(N(C)Cc2scnc2C)n1
InChIInChI=1S/C13H16N4O2S/c1-8-11(20-7-15-8)6-17(2)12-9(14)4-5-10(16-12)13(18)19-3/h4-5,7H,6,14H2,1-3H3
InChIKeyYUIVFFPAPHTTNB-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.85
Rot. Bonds4

About methyl 5-amino-6-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]pyridine-2-carboxylate

methyl 5-amino-6-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]pyridine-2-carboxylate (PubChem CID 114406679) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is methyl 5-amino-6-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-6-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]pyridine-2-carboxylate
PubChem CID114406679
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC Namemethyl 5-amino-6-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(N)c(N(C)Cc2scnc2C)n1
InChIInChI=1S/C13H16N4O2S/c1-8-11(20-7-15-8)6-17(2)12-9(14)4-5-10(16-12)13(18)19-3/h4-5,7H,6,14H2,1-3H3
InChIKeyYUIVFFPAPHTTNB-UHFFFAOYSA-N
XLogP1.85
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 5-amino-6-[methyl(pyridin-4-ylmethyl)amino]pyridine-2-carboxylate
CID 114405544
methyl 5-amino-6-[methyl(pyridin-2-ylmethyl)amino]pyridine-2-carboxylate
CID 114405521
methyl 5-amino-6-[(5-bromothiophen-3-yl)methyl-methylamino]pyridine-2-carboxylate
CID 114405984
methyl 5-amino-6-[methyl(2-propan-2-yloxyethyl)amino]pyridine-2-carboxylate
CID 114407218
4-amino-N,N-dimethyl-3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]benzamide
CID 63841906
methyl 5-amino-6-(4-ethyl-N-methylanilino)pyridine-2-carboxylate
CID 114406277
4-amino-3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]benzenesulfonamide
CID 82900255
ethyl 2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-1,3-oxazole-4-carboxylate
CID 113377294
5-amino-6-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridine-2-carboxylic acid
CID 114406127
methyl 5-amino-6-[2-methoxyethyl(2-methylpropyl)amino]pyridine-2-carboxylate
CID 114405986
3-(aminomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazin-2-amine
CID 55259980
4-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 63843592

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-6-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]pyridine-2-carboxylate?
The IUPAC name of methyl 5-amino-6-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]pyridine-2-carboxylate (CID 114406679) is methyl 5-amino-6-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-amino-6-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]pyridine-2-carboxylate?
The canonical SMILES for methyl 5-amino-6-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]pyridine-2-carboxylate is COC(=O)c1ccc(N)c(N(C)Cc2scnc2C)n1.
What is the InChIKey of methyl 5-amino-6-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]pyridine-2-carboxylate?
The InChIKey is YUIVFFPAPHTTNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-8-11(20-7-15-8)6-17(2)12-9(14)4-5-10(16-12)13(18)19-3/h4-5,7H,6,14H2,1-3H3.
What are the key properties of methyl 5-amino-6-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]pyridine-2-carboxylate?
methyl 5-amino-6-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]pyridine-2-carboxylate has a molecular weight of 292.36 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-6-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]pyridine-2-carboxylate is sourced from PubChem (CID 114406679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).