ethyl 2-[4-(2-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]imidazo[5,1-b][1,3,4]thiadiazole-7-carboxylate

C18H17FN4O2S — CID 166340913

IUPACethyl 2-[4-(2-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]imidazo[5,1-b][1,3,4]thiadiazole-7-carboxylate
SMILESCCOC(=O)c1ncn2nc(N3CC=C(c4ccccc4F)CC3)sc12
InChIInChI=1S/C18H17FN4O2S/c1-2-25-17(24)15-16-23(11-20-15)21-18(26-16)22-9-7-12(8-10-22)13-5-3-4-6-14(13)19/h3-7,11H,2,8-10H2,1H3
InChIKeyJDFLASVSOKWQIA-UHFFFAOYSA-N
MW372.43 g/mol
LogP3.40
Rot. Bonds4

About ethyl 2-[4-(2-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]imidazo[5,1-b][1,3,4]thiadiazole-7-carboxylate

ethyl 2-[4-(2-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]imidazo[5,1-b][1,3,4]thiadiazole-7-carboxylate (PubChem CID 166340913) has the molecular formula C18H17FN4O2S and a molecular weight of 372.43 g/mol. Its IUPAC name is ethyl 2-[4-(2-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]imidazo[5,1-b][1,3,4]thiadiazole-7-carboxylate.

Molecular Properties

Compound Nameethyl 2-[4-(2-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]imidazo[5,1-b][1,3,4]thiadiazole-7-carboxylate
PubChem CID166340913
Molecular FormulaC18H17FN4O2S
Molecular Weight372.43 g/mol
Exact Mass372.11
IUPAC Nameethyl 2-[4-(2-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]imidazo[5,1-b][1,3,4]thiadiazole-7-carboxylate
SMILESCCOC(=O)c1ncn2nc(N3CC=C(c4ccccc4F)CC3)sc12
InChIInChI=1S/C18H17FN4O2S/c1-2-25-17(24)15-16-23(11-20-15)21-18(26-16)22-9-7-12(8-10-22)13-5-3-4-6-14(13)19/h3-7,11H,2,8-10H2,1H3
InChIKeyJDFLASVSOKWQIA-UHFFFAOYSA-N
XLogP3.40
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[4-(2-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]imidazo[5,1-b][1,3,4]thiadiazole-7-carboxylate with MolForge

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Related Compounds

(2S)-2-(dimethylamino)-1-[4-(2-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-one
CID 97309807
(2R)-2-(dimethylamino)-1-[4-(2-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-one
CID 97309808
2-[4-(2-ethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133277029
ethyl imidazo[5,1-b][1,3]benzothiazole-3-carboxylate
CID 132577655
4-[3-[4-(2-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-hydroxypropoxy]benzamide
CID 70229357
ethyl 3-fluoropyridine-2-carboxylate
CID 46311381
ethyl 5-(2-fluorophenyl)-1H-imidazole-2-carboxylate
CID 116883535
ethyl 6-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]pyridine-3-carboxylate
CID 31537153
ethyl 8-methoxy-4-[1-(2-methoxyphenyl)-3,6-dihydro-2H-pyridin-4-yl]quinoline-3-carboxylate
CID 162669788
diethyl 7-(4-chlorobenzoyl)-3-(2-fluorophenyl)pyrrolo[1,2-c]pyrimidine-5,6-dicarboxylate
CID 51056543
ethyl 1,5-dimethylimidazole-4-carboxylate
CID 13143714
3-(2-fluorophenyl)-2,5-dihydropyrrole-1-carboxylic acid
CID 151683948

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(2-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]imidazo[5,1-b][1,3,4]thiadiazole-7-carboxylate?
The IUPAC name of ethyl 2-[4-(2-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]imidazo[5,1-b][1,3,4]thiadiazole-7-carboxylate (CID 166340913) is ethyl 2-[4-(2-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]imidazo[5,1-b][1,3,4]thiadiazole-7-carboxylate.
What is the SMILES notation for ethyl 2-[4-(2-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]imidazo[5,1-b][1,3,4]thiadiazole-7-carboxylate?
The canonical SMILES for ethyl 2-[4-(2-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]imidazo[5,1-b][1,3,4]thiadiazole-7-carboxylate is CCOC(=O)c1ncn2nc(N3CC=C(c4ccccc4F)CC3)sc12.
What is the InChIKey of ethyl 2-[4-(2-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]imidazo[5,1-b][1,3,4]thiadiazole-7-carboxylate?
The InChIKey is JDFLASVSOKWQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O2S/c1-2-25-17(24)15-16-23(11-20-15)21-18(26-16)22-9-7-12(8-10-22)13-5-3-4-6-14(13)19/h3-7,11H,2,8-10H2,1H3.
What are the key properties of ethyl 2-[4-(2-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]imidazo[5,1-b][1,3,4]thiadiazole-7-carboxylate?
ethyl 2-[4-(2-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]imidazo[5,1-b][1,3,4]thiadiazole-7-carboxylate has a molecular weight of 372.43 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(2-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]imidazo[5,1-b][1,3,4]thiadiazole-7-carboxylate is sourced from PubChem (CID 166340913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).