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

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Related Compounds

6-chloro-N-[5-cyano-4-(2-methoxyphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 151692836
cis-(1R,2S)-2-[[5-cyano-4-(2-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid;trans-(1R,2R)-2-[[5-cyano-4-(2-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 87301444
methyl 1-[2-cyano-5-(2-fluorophenyl)phenyl]piperidine-4-carboxylate
CID 171037847
N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 59318113
methyl-[1-[5-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)carbamoyl]-2-pyridinyl]piperidin-4-yl]carbamic acid
CID 86641503
cis-(1R,3S)-3-[[5-cyano-4-(2-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]cyclopentane-1-carboxylic acid;5-[[5-cyano-4-(2-fluorophenyl)-1,3-thiazol-2-yl]amino]-3-methyl-5-oxopentanoic acid;trans-(1R,3R)-3-[[5-cyano-4-(2-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]cyclopentane-1-carboxylic acid
CID 87574194
methyl 1-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxylate
CID 47072276
methyl 1-(5-carbamoyl-2-pyridinyl)pyrrolidine-3-carboxylate
CID 78984051
methyl 4-[4-[5-[(4-tert-butylphenyl)carbamoyl]-2-pyridinyl]piperazine-1-carbonyl]cyclohexane-1-carboxylate
CID 59318026
methyl 1-(2-fluorophenyl)piperidine-4-carboxylate
CID 117028042
tert-butyl 4-[5-[(5-ethyl-4-phenyl-1,3-thiazol-2-yl)carbamoyl]-2-pyridinyl]piperazine-1-carboxylate
CID 59318081
ethyl 1-[5-[(3-methyl-4-phenylphenyl)carbamoyl]-2-pyridinyl]piperidine-4-carboxylate
CID 59318171

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).