4-cyano-N-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-4-(2-hydroxypropan-2-yl)piperidine-1-carboxamide

C27H28N6O2S — CID 162688386

IUPAC4-cyano-N-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-4-(2-hydroxypropan-2-yl)piperidine-1-carboxamide
SMILESCc1cc(-c2sc(NC(=O)N3CCC(C#N)(C(C)(C)O)CC3)nc2-c2cccc(C#N)c2)cc(C)n1
InChIInChI=1S/C27H28N6O2S/c1-17-12-21(13-18(2)30-17)23-22(20-7-5-6-19(14-20)15-28)31-24(36-23)32-25(34)33-10-8-27(16-29,9-11-33)26(3,4)35/h5-7,12-14,35H,8-11H2,1-4H3,(H,31,32,34)
InChIKeyDFHYNRZLEOIXQK-UHFFFAOYSA-N
MW500.63 g/mol
LogP5.27
Rot. Bonds4

About 4-cyano-N-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-4-(2-hydroxypropan-2-yl)piperidine-1-carboxamide

4-cyano-N-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-4-(2-hydroxypropan-2-yl)piperidine-1-carboxamide (PubChem CID 162688386) has the molecular formula C27H28N6O2S and a molecular weight of 500.63 g/mol. Its IUPAC name is 4-cyano-N-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-4-(2-hydroxypropan-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-cyano-N-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-4-(2-hydroxypropan-2-yl)piperidine-1-carboxamide
PubChem CID162688386
Molecular FormulaC27H28N6O2S
Molecular Weight500.63 g/mol
Exact Mass500.20
IUPAC Name4-cyano-N-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-4-(2-hydroxypropan-2-yl)piperidine-1-carboxamide
SMILESCc1cc(-c2sc(NC(=O)N3CCC(C#N)(C(C)(C)O)CC3)nc2-c2cccc(C#N)c2)cc(C)n1
InChIInChI=1S/C27H28N6O2S/c1-17-12-21(13-18(2)30-17)23-22(20-7-5-6-19(14-20)15-28)31-24(36-23)32-25(34)33-10-8-27(16-29,9-11-33)26(3,4)35/h5-7,12-14,35H,8-11H2,1-4H3,(H,31,32,34)
InChIKeyDFHYNRZLEOIXQK-UHFFFAOYSA-N
XLogP5.27
TPSA125.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.63
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-cyano-N-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-4-(2-hydroxypropan-2-yl)piperidine-1-carboxamide with MolForge

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Related Compounds

N-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide
CID 162688237
N-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-4-sulfamoylpiperazine-1-carboxamide
CID 162688189
N-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-3-hydroxypyrrolidine-1-carboxamide
CID 169060197
(3R)-N-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)piperazine-1-carboxamide
CID 162688260
N-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-9-oxa-2,6-diazaspiro[4.5]decane-2-carboxamide
CID 162688148
(3aS,6aR)-N-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole-5-carboxamide
CID 162688125
(3S)-N-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-3,5-dimethylpiperazine-1-carboxamide
CID 166959531
N-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-4-(2-oxoimidazolidin-1-yl)piperidine-1-carboxamide
CID 162688127
N-[5-[2-[[tert-butyl(dimethyl)-λ4-sulfanyl]methoxymethyl]-6-methyl-4-pyridinyl]-4-(3-cyanophenyl)-1,3-thiazol-2-yl]-4-cyano-4-methylpiperidine-1-carboxamide
CID 166959540
N-[4-(3-cyanophenyl)-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-1,3-thiazol-2-yl]morpholine-4-carboxamide
CID 166959522
1-N-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-4-N-(2-hydroxyethyl)piperidine-1,4-dicarboxamide
CID 162688224
N-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-6-methyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide
CID 169060246

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-4-(2-hydroxypropan-2-yl)piperidine-1-carboxamide?
The IUPAC name of 4-cyano-N-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-4-(2-hydroxypropan-2-yl)piperidine-1-carboxamide (CID 162688386) is 4-cyano-N-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-4-(2-hydroxypropan-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-cyano-N-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-4-(2-hydroxypropan-2-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-cyano-N-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-4-(2-hydroxypropan-2-yl)piperidine-1-carboxamide is Cc1cc(-c2sc(NC(=O)N3CCC(C#N)(C(C)(C)O)CC3)nc2-c2cccc(C#N)c2)cc(C)n1.
What is the InChIKey of 4-cyano-N-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-4-(2-hydroxypropan-2-yl)piperidine-1-carboxamide?
The InChIKey is DFHYNRZLEOIXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N6O2S/c1-17-12-21(13-18(2)30-17)23-22(20-7-5-6-19(14-20)15-28)31-24(36-23)32-25(34)33-10-8-27(16-29,9-11-33)26(3,4)35/h5-7,12-14,35H,8-11H2,1-4H3,(H,31,32,34).
What are the key properties of 4-cyano-N-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-4-(2-hydroxypropan-2-yl)piperidine-1-carboxamide?
4-cyano-N-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-4-(2-hydroxypropan-2-yl)piperidine-1-carboxamide has a molecular weight of 500.63 g/mol, XLogP of 5.27, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-4-(2-hydroxypropan-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 162688386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).