ethyl 2-(pyridin-4-ylmethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate

C15H17N3O2S — CID 68643971

IUPACethyl 2-(pyridin-4-ylmethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate
SMILESCCOC(=O)N1CCc2nc(Cc3ccncc3)sc2C1
InChIInChI=1S/C15H17N3O2S/c1-2-20-15(19)18-8-5-12-13(10-18)21-14(17-12)9-11-3-6-16-7-4-11/h3-4,6-7H,2,5,8-10H2,1H3
InChIKeyPWJCLDJFGCLWOV-UHFFFAOYSA-N
MW303.39 g/mol
LogP2.64
Rot. Bonds3

About ethyl 2-(pyridin-4-ylmethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate

ethyl 2-(pyridin-4-ylmethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate (PubChem CID 68643971) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is ethyl 2-(pyridin-4-ylmethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(pyridin-4-ylmethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate
PubChem CID68643971
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC Nameethyl 2-(pyridin-4-ylmethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate
SMILESCCOC(=O)N1CCc2nc(Cc3ccncc3)sc2C1
InChIInChI=1S/C15H17N3O2S/c1-2-20-15(19)18-8-5-12-13(10-18)21-14(17-12)9-11-3-6-16-7-4-11/h3-4,6-7H,2,5,8-10H2,1H3
InChIKeyPWJCLDJFGCLWOV-UHFFFAOYSA-N
XLogP2.64
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 2-(pyridin-4-ylmethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate with MolForge

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Related Compounds

ethyl 2-pyridin-4-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate
CID 68644063
2-(2-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propanoic acid
CID 82098355
2-(hydroxymethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylic acid
CID 68643969
5-O-tert-butyl 2-O-ethyl 6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2,5-dicarboxylate
CID 45489909
ethyl 3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
CID 23394084
tert-butyl 2-[(1-methylbenzimidazol-2-yl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate
CID 159617839
benzyl 2-sulfamoyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate
CID 22406958
ethyl 2-(1,3-benzodioxole-5-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate
CID 41107119
benzyl 2-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate
CID 122461098
ethyl 4-[2-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)acetyl]piperazine-1-carboxylate
CID 110329199
ethyl 5-(pyridin-4-ylmethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate
CID 25019455
1-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-phenylethanone
CID 59128876

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(pyridin-4-ylmethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate?
The IUPAC name of ethyl 2-(pyridin-4-ylmethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate (CID 68643971) is ethyl 2-(pyridin-4-ylmethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate.
What is the SMILES notation for ethyl 2-(pyridin-4-ylmethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate?
The canonical SMILES for ethyl 2-(pyridin-4-ylmethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate is CCOC(=O)N1CCc2nc(Cc3ccncc3)sc2C1.
What is the InChIKey of ethyl 2-(pyridin-4-ylmethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate?
The InChIKey is PWJCLDJFGCLWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-2-20-15(19)18-8-5-12-13(10-18)21-14(17-12)9-11-3-6-16-7-4-11/h3-4,6-7H,2,5,8-10H2,1H3.
What are the key properties of ethyl 2-(pyridin-4-ylmethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate?
ethyl 2-(pyridin-4-ylmethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate has a molecular weight of 303.39 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(pyridin-4-ylmethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate is sourced from PubChem (CID 68643971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).