ethyl 4-[[2-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-1,3-thiazole-4-carbonyl]amino]-1-methylimidazole-2-carboxylate

C24H26FN5O4S — CID 3691747

IUPACethyl 4-[[2-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-1,3-thiazole-4-carbonyl]amino]-1-methylimidazole-2-carboxylate
SMILESCCOC(=O)c1nc(NC(=O)c2csc(C3CCN(C(=O)Cc4ccc(F)cc4)CC3)n2)cn1C
InChIInChI=1S/C24H26FN5O4S/c1-3-34-24(33)21-27-19(13-29(21)2)28-22(32)18-14-35-23(26-18)16-8-10-30(11-9-16)20(31)12-15-4-6-17(25)7-5-15/h4-7,13-14,16H,3,8-12H2,1-2H3,(H,28,32)
InChIKeyYPFKMVGHQWXPNR-UHFFFAOYSA-N
MW499.57 g/mol
LogP3.39
Rot. Bonds7

About ethyl 4-[[2-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-1,3-thiazole-4-carbonyl]amino]-1-methylimidazole-2-carboxylate

ethyl 4-[[2-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-1,3-thiazole-4-carbonyl]amino]-1-methylimidazole-2-carboxylate (PubChem CID 3691747) has the molecular formula C24H26FN5O4S and a molecular weight of 499.57 g/mol. Its IUPAC name is ethyl 4-[[2-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-1,3-thiazole-4-carbonyl]amino]-1-methylimidazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[2-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-1,3-thiazole-4-carbonyl]amino]-1-methylimidazole-2-carboxylate
PubChem CID3691747
Molecular FormulaC24H26FN5O4S
Molecular Weight499.57 g/mol
Exact Mass499.17
IUPAC Nameethyl 4-[[2-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-1,3-thiazole-4-carbonyl]amino]-1-methylimidazole-2-carboxylate
SMILESCCOC(=O)c1nc(NC(=O)c2csc(C3CCN(C(=O)Cc4ccc(F)cc4)CC3)n2)cn1C
InChIInChI=1S/C24H26FN5O4S/c1-3-34-24(33)21-27-19(13-29(21)2)28-22(32)18-14-35-23(26-18)16-8-10-30(11-9-16)20(31)12-15-4-6-17(25)7-5-15/h4-7,13-14,16H,3,8-12H2,1-2H3,(H,28,32)
InChIKeyYPFKMVGHQWXPNR-UHFFFAOYSA-N
XLogP3.39
TPSA106.42 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.57
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 4-[[2-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-1,3-thiazole-4-carbonyl]amino]-1-methylimidazole-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-1,3-thiazole-4-carbonyl]amino]-1-methylimidazole-2-carboxylate?
The IUPAC name of ethyl 4-[[2-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-1,3-thiazole-4-carbonyl]amino]-1-methylimidazole-2-carboxylate (CID 3691747) is ethyl 4-[[2-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-1,3-thiazole-4-carbonyl]amino]-1-methylimidazole-2-carboxylate.
What is the SMILES notation for ethyl 4-[[2-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-1,3-thiazole-4-carbonyl]amino]-1-methylimidazole-2-carboxylate?
The canonical SMILES for ethyl 4-[[2-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-1,3-thiazole-4-carbonyl]amino]-1-methylimidazole-2-carboxylate is CCOC(=O)c1nc(NC(=O)c2csc(C3CCN(C(=O)Cc4ccc(F)cc4)CC3)n2)cn1C.
What is the InChIKey of ethyl 4-[[2-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-1,3-thiazole-4-carbonyl]amino]-1-methylimidazole-2-carboxylate?
The InChIKey is YPFKMVGHQWXPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5O4S/c1-3-34-24(33)21-27-19(13-29(21)2)28-22(32)18-14-35-23(26-18)16-8-10-30(11-9-16)20(31)12-15-4-6-17(25)7-5-15/h4-7,13-14,16H,3,8-12H2,1-2H3,(H,28,32).
What are the key properties of ethyl 4-[[2-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-1,3-thiazole-4-carbonyl]amino]-1-methylimidazole-2-carboxylate?
ethyl 4-[[2-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-1,3-thiazole-4-carbonyl]amino]-1-methylimidazole-2-carboxylate has a molecular weight of 499.57 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-1,3-thiazole-4-carbonyl]amino]-1-methylimidazole-2-carboxylate is sourced from PubChem (CID 3691747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).