ethyl 6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyridine-3-carboxylate

C15H19N3O2S — CID 61064211

IUPACethyl 6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(NC(C)c2sc(C)nc2C)nc1
InChIInChI=1S/C15H19N3O2S/c1-5-20-15(19)12-6-7-13(16-8-12)18-10(3)14-9(2)17-11(4)21-14/h6-8,10H,5H2,1-4H3,(H,16,18)
InChIKeyRRBUYKLIIWABIW-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.50
Rot. Bonds5

About ethyl 6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyridine-3-carboxylate

ethyl 6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyridine-3-carboxylate (PubChem CID 61064211) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is ethyl 6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyridine-3-carboxylate
PubChem CID61064211
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Nameethyl 6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(NC(C)c2sc(C)nc2C)nc1
InChIInChI=1S/C15H19N3O2S/c1-5-20-15(19)12-6-7-13(16-8-12)18-10(3)14-9(2)17-11(4)21-14/h6-8,10H,5H2,1-4H3,(H,16,18)
InChIKeyRRBUYKLIIWABIW-UHFFFAOYSA-N
XLogP3.50
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 6-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]pyridine-3-carboxylate
CID 122150645
ethyl 6-[[(1S)-1-(4-methylsulfanylphenyl)ethyl]amino]pyridine-3-carboxylate
CID 95592424
ethyl 6-[[1-(methylamino)-1-oxopropan-2-yl]amino]pyridine-3-carboxylate
CID 61065618
ethyl 5-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-3-methyl-1,2-thiazole-4-carboxylate
CID 79371456
6-(cyclopropylamino)-N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyridine-3-carboxamide
CID 94668559
ethyl 6-(2-methylbutylamino)pyridine-3-carboxylate
CID 55108410
ethyl 6-[(3-hydroxy-2-methylpropyl)amino]pyridine-3-carboxylate
CID 61362810
ethyl 6-(2,2-dimethylpropylamino)pyridine-3-carboxylate
CID 61166664
ethyl 6-[[3-oxo-3-(propan-2-ylamino)propyl]amino]pyridine-3-carboxylate
CID 115579646
ethyl 6-(2-phenylpropylamino)pyridine-3-carboxylate
CID 115578365
ethyl 6-(4-aminoanilino)pyridine-3-carboxylate
CID 63214956
ethyl 6-[(3-amino-3-oxopropyl)amino]pyridine-3-carboxylate
CID 43532828

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyridine-3-carboxylate?
The IUPAC name of ethyl 6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyridine-3-carboxylate (CID 61064211) is ethyl 6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyridine-3-carboxylate is CCOC(=O)c1ccc(NC(C)c2sc(C)nc2C)nc1.
What is the InChIKey of ethyl 6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyridine-3-carboxylate?
The InChIKey is RRBUYKLIIWABIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-5-20-15(19)12-6-7-13(16-8-12)18-10(3)14-9(2)17-11(4)21-14/h6-8,10H,5H2,1-4H3,(H,16,18).
What are the key properties of ethyl 6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyridine-3-carboxylate?
ethyl 6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyridine-3-carboxylate has a molecular weight of 305.40 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyridine-3-carboxylate is sourced from PubChem (CID 61064211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).