N-(3-cyano-4-fluorophenyl)-2-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide

C22H26FN5OS — CID 156735165

IUPACN-(3-cyano-4-fluorophenyl)-2-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide
SMILESC[C@@H]1CCCN(C2CCN(c3ncc(C(=O)Nc4ccc(F)c(C#N)c4)s3)CC2)C1
InChIInChI=1S/C22H26FN5OS/c1-15-3-2-8-28(14-15)18-6-9-27(10-7-18)22-25-13-20(30-22)21(29)26-17-4-5-19(23)16(11-17)12-24/h4-5,11,13,15,18H,2-3,6-10,14H2,1H3,(H,26,29)/t15-/m1/s1
InChIKeyPLBKVYLOIRMHCK-OAHLLOKOSA-N
MW427.55 g/mol
LogP4.11
Rot. Bonds4

About N-(3-cyano-4-fluorophenyl)-2-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide

N-(3-cyano-4-fluorophenyl)-2-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide (PubChem CID 156735165) has the molecular formula C22H26FN5OS and a molecular weight of 427.55 g/mol. Its IUPAC name is N-(3-cyano-4-fluorophenyl)-2-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-cyano-4-fluorophenyl)-2-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide
PubChem CID156735165
Molecular FormulaC22H26FN5OS
Molecular Weight427.55 g/mol
Exact Mass427.18
IUPAC NameN-(3-cyano-4-fluorophenyl)-2-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide
SMILESC[C@@H]1CCCN(C2CCN(c3ncc(C(=O)Nc4ccc(F)c(C#N)c4)s3)CC2)C1
InChIInChI=1S/C22H26FN5OS/c1-15-3-2-8-28(14-15)18-6-9-27(10-7-18)22-25-13-20(30-22)21(29)26-17-4-5-19(23)16(11-17)12-24/h4-5,11,13,15,18H,2-3,6-10,14H2,1H3,(H,26,29)/t15-/m1/s1
InChIKeyPLBKVYLOIRMHCK-OAHLLOKOSA-N
XLogP4.11
TPSA72.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(3-cyano-4-fluorophenyl)-2-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide with MolForge

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Related Compounds

1-[5-[3-(Dimethylamino)phenyl]-2-thiazolyl]-4-piperidinecarboxamide
CID 46907664
2-[[4-(6-Fluoro-2,3-dihydroindol-1-yl)piperidine-1-carbonyl]amino]-1,3-thiazole-5-carboxamide
CID 72725460
2-(4-(6-fluoroindolin-1-yl)piperidine-1-carboxamido)-N-methylthiazole-5-carboxamide
CID 72725462
1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 163368404
2-[1-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperidin-4-ylidene]-N-(4-fluorophenyl)acetamide
CID 163368427
1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-(4-methylphenyl)piperidine-4-carboxamide
CID 163368434
1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-(4-fluorophenyl)piperidine-3-carboxamide
CID 163368458
US20240000767, Example 113
CID 156735009
US20240000767, Example 117
CID 162434999
US11319299, Example 615
CID 164608182
4-(3-cyanophenyl)-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 162670417
1-[5-(3-Piperidin-1-ylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 46907679

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4-fluorophenyl)-2-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(3-cyano-4-fluorophenyl)-2-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide (CID 156735165) is N-(3-cyano-4-fluorophenyl)-2-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(3-cyano-4-fluorophenyl)-2-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(3-cyano-4-fluorophenyl)-2-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide is C[C@@H]1CCCN(C2CCN(c3ncc(C(=O)Nc4ccc(F)c(C#N)c4)s3)CC2)C1.
What is the InChIKey of N-(3-cyano-4-fluorophenyl)-2-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is PLBKVYLOIRMHCK-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H26FN5OS/c1-15-3-2-8-28(14-15)18-6-9-27(10-7-18)22-25-13-20(30-22)21(29)26-17-4-5-19(23)16(11-17)12-24/h4-5,11,13,15,18H,2-3,6-10,14H2,1H3,(H,26,29)/t15-/m1/s1.
What are the key properties of N-(3-cyano-4-fluorophenyl)-2-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide?
N-(3-cyano-4-fluorophenyl)-2-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 427.55 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4-fluorophenyl)-2-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 156735165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).