methyl 1-[5-[[5-cyano-4-(2-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]-2-pyridinyl]piperidine-4-carboxylate

C23H20FN5O3S — CID 150251008

IUPACmethyl 1-[5-[[5-cyano-4-(2-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]-2-pyridinyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(c2ccc(C(=O)Nc3nc(-c4ccccc4F)c(C#N)s3)cn2)CC1
InChIInChI=1S/C23H20FN5O3S/c1-32-22(31)14-8-10-29(11-9-14)19-7-6-15(13-26-19)21(30)28-23-27-20(18(12-25)33-23)16-4-2-3-5-17(16)24/h2-7,13-14H,8-11H2,1H3,(H,27,28,30)
InChIKeyFZNXVQBHPGYBEX-UHFFFAOYSA-N
MW465.51 g/mol
LogP3.86
Rot. Bonds5

About methyl 1-[5-[[5-cyano-4-(2-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]-2-pyridinyl]piperidine-4-carboxylate

methyl 1-[5-[[5-cyano-4-(2-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]-2-pyridinyl]piperidine-4-carboxylate (PubChem CID 150251008) has the molecular formula C23H20FN5O3S and a molecular weight of 465.51 g/mol. Its IUPAC name is methyl 1-[5-[[5-cyano-4-(2-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]-2-pyridinyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[5-[[5-cyano-4-(2-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]-2-pyridinyl]piperidine-4-carboxylate
PubChem CID150251008
Molecular FormulaC23H20FN5O3S
Molecular Weight465.51 g/mol
Exact Mass465.13
IUPAC Namemethyl 1-[5-[[5-cyano-4-(2-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]-2-pyridinyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(c2ccc(C(=O)Nc3nc(-c4ccccc4F)c(C#N)s3)cn2)CC1
InChIInChI=1S/C23H20FN5O3S/c1-32-22(31)14-8-10-29(11-9-14)19-7-6-15(13-26-19)21(30)28-23-27-20(18(12-25)33-23)16-4-2-3-5-17(16)24/h2-7,13-14H,8-11H2,1H3,(H,27,28,30)
InChIKeyFZNXVQBHPGYBEX-UHFFFAOYSA-N
XLogP3.86
TPSA108.21 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.51
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 1-[5-[[5-cyano-4-(2-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]-2-pyridinyl]piperidine-4-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 methyl 1-[5-[[5-cyano-4-(2-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]-2-pyridinyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[5-[[5-cyano-4-(2-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]-2-pyridinyl]piperidine-4-carboxylate (CID 150251008) is methyl 1-[5-[[5-cyano-4-(2-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]-2-pyridinyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[5-[[5-cyano-4-(2-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]-2-pyridinyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[5-[[5-cyano-4-(2-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]-2-pyridinyl]piperidine-4-carboxylate is COC(=O)C1CCN(c2ccc(C(=O)Nc3nc(-c4ccccc4F)c(C#N)s3)cn2)CC1.
What is the InChIKey of methyl 1-[5-[[5-cyano-4-(2-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]-2-pyridinyl]piperidine-4-carboxylate?
The InChIKey is FZNXVQBHPGYBEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN5O3S/c1-32-22(31)14-8-10-29(11-9-14)19-7-6-15(13-26-19)21(30)28-23-27-20(18(12-25)33-23)16-4-2-3-5-17(16)24/h2-7,13-14H,8-11H2,1H3,(H,27,28,30).
What are the key properties of methyl 1-[5-[[5-cyano-4-(2-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]-2-pyridinyl]piperidine-4-carboxylate?
methyl 1-[5-[[5-cyano-4-(2-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]-2-pyridinyl]piperidine-4-carboxylate has a molecular weight of 465.51 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[5-[[5-cyano-4-(2-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]-2-pyridinyl]piperidine-4-carboxylate is sourced from PubChem (CID 150251008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).