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

C15H17N3O3S — CID 126635332

IUPACethyl 5-[5-[acetyl(methyl)amino]-4-methyl-1,3-thiazol-2-yl]pyridine-3-carboxylate
SMILESCCOC(=O)c1cncc(-c2nc(C)c(N(C)C(C)=O)s2)c1
InChIInChI=1S/C15H17N3O3S/c1-5-21-15(20)12-6-11(7-16-8-12)13-17-9(2)14(22-13)18(4)10(3)19/h6-8H,5H2,1-4H3
InChIKeyYAWUIRHVYXRFEY-UHFFFAOYSA-N
MW319.39 g/mol
LogP2.67
Rot. Bonds4

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

ethyl 5-[5-[acetyl(methyl)amino]-4-methyl-1,3-thiazol-2-yl]pyridine-3-carboxylate (PubChem CID 126635332) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is ethyl 5-[5-[acetyl(methyl)amino]-4-methyl-1,3-thiazol-2-yl]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[5-[acetyl(methyl)amino]-4-methyl-1,3-thiazol-2-yl]pyridine-3-carboxylate
PubChem CID126635332
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC Nameethyl 5-[5-[acetyl(methyl)amino]-4-methyl-1,3-thiazol-2-yl]pyridine-3-carboxylate
SMILESCCOC(=O)c1cncc(-c2nc(C)c(N(C)C(C)=O)s2)c1
InChIInChI=1S/C15H17N3O3S/c1-5-21-15(20)12-6-11(7-16-8-12)13-17-9(2)14(22-13)18(4)10(3)19/h6-8H,5H2,1-4H3
InChIKeyYAWUIRHVYXRFEY-UHFFFAOYSA-N
XLogP2.67
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-N,2-dimethyl-3-sulfanylpropanamide
CID 126635494
ethyl 5-(3,4,5-trimethoxyphenyl)pyridine-3-carboxylate
CID 22557861
ethane;ethyl 5-ethylpyridine-3-carboxylate
CID 143600657
ethyl 5-(5-amino-2-pyridinyl)pyridine-3-carboxylate;hydrochloride
CID 139271487
ethyl 5-(2-fluoro-4-methylphenyl)pyridine-3-carboxylate
CID 67338384
N-ethyl-N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-3-methylsulfinylpropanamide
CID 59580834
ethyl 5-hydrazinylpyridine-3-carboxylate
CID 112757253
ethyl 6-(dimethylamino)pyrazine-2-carboxylate
CID 23273864
ethyl 5-(aminomethyl)pyridine-3-carboxylate;dihydrochloride
CID 140963506
ethyl 3-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-1-methylpyrazole-5-carboxylate
CID 66633572
ethyl 5-(chloromethyl)pyridine-3-carboxylate;hydrochloride
CID 70071930
ethyl 5-(4-cyano-3-hydroxyphenyl)pyridine-3-carboxylate
CID 69355460

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[5-[acetyl(methyl)amino]-4-methyl-1,3-thiazol-2-yl]pyridine-3-carboxylate?
The IUPAC name of ethyl 5-[5-[acetyl(methyl)amino]-4-methyl-1,3-thiazol-2-yl]pyridine-3-carboxylate (CID 126635332) is ethyl 5-[5-[acetyl(methyl)amino]-4-methyl-1,3-thiazol-2-yl]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-[5-[acetyl(methyl)amino]-4-methyl-1,3-thiazol-2-yl]pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-[5-[acetyl(methyl)amino]-4-methyl-1,3-thiazol-2-yl]pyridine-3-carboxylate is CCOC(=O)c1cncc(-c2nc(C)c(N(C)C(C)=O)s2)c1.
What is the InChIKey of ethyl 5-[5-[acetyl(methyl)amino]-4-methyl-1,3-thiazol-2-yl]pyridine-3-carboxylate?
The InChIKey is YAWUIRHVYXRFEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S/c1-5-21-15(20)12-6-11(7-16-8-12)13-17-9(2)14(22-13)18(4)10(3)19/h6-8H,5H2,1-4H3.
What are the key properties of ethyl 5-[5-[acetyl(methyl)amino]-4-methyl-1,3-thiazol-2-yl]pyridine-3-carboxylate?
ethyl 5-[5-[acetyl(methyl)amino]-4-methyl-1,3-thiazol-2-yl]pyridine-3-carboxylate has a molecular weight of 319.39 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[5-[acetyl(methyl)amino]-4-methyl-1,3-thiazol-2-yl]pyridine-3-carboxylate is sourced from PubChem (CID 126635332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).