N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-1-pyrazin-2-ylpiperidine-3-carboxamide

C21H21F2N5O2S — CID 46597005

IUPACN-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-1-pyrazin-2-ylpiperidine-3-carboxamide
SMILESCc1sc(NC(=O)C2CCCN(c3cnccn3)C2)nc1-c1ccc(OC(F)F)cc1
InChIInChI=1S/C21H21F2N5O2S/c1-13-18(14-4-6-16(7-5-14)30-20(22)23)26-21(31-13)27-19(29)15-3-2-10-28(12-15)17-11-24-8-9-25-17/h4-9,11,15,20H,2-3,10,12H2,1H3,(H,26,27,29)
InChIKeyPFPBVMBXTHRJFU-UHFFFAOYSA-N
MW445.50 g/mol
LogP4.37
Rot. Bonds6

About N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-1-pyrazin-2-ylpiperidine-3-carboxamide

N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-1-pyrazin-2-ylpiperidine-3-carboxamide (PubChem CID 46597005) has the molecular formula C21H21F2N5O2S and a molecular weight of 445.50 g/mol. Its IUPAC name is N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-1-pyrazin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-1-pyrazin-2-ylpiperidine-3-carboxamide
PubChem CID46597005
Molecular FormulaC21H21F2N5O2S
Molecular Weight445.50 g/mol
Exact Mass445.14
IUPAC NameN-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-1-pyrazin-2-ylpiperidine-3-carboxamide
SMILESCc1sc(NC(=O)C2CCCN(c3cnccn3)C2)nc1-c1ccc(OC(F)F)cc1
InChIInChI=1S/C21H21F2N5O2S/c1-13-18(14-4-6-16(7-5-14)30-20(22)23)26-21(31-13)27-19(29)15-3-2-10-28(12-15)17-11-24-8-9-25-17/h4-9,11,15,20H,2-3,10,12H2,1H3,(H,26,27,29)
InChIKeyPFPBVMBXTHRJFU-UHFFFAOYSA-N
XLogP4.37
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.50
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-1-pyrazin-2-ylpiperidine-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]piperidine-3-carboxamide
CID 119273428
N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-2-piperidin-1-ylpyridine-3-carboxamide
CID 60553886
(2S,4S)-N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-2-methylpiperidine-4-carboxamide
CID 120618742
N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-2-(methylamino)acetamide
CID 119693574
(3R)-N-(6-methyl-2-pyridinyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 36998696
N-propan-2-yl-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 42950778
(3S)-1-pyrazin-2-yl-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 37027060
N-[2-(4-propan-2-yloxyphenyl)ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 46431901
(3S)-N-tert-butyl-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 94045960
N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-5-piperidin-1-ylsulfonylfuran-2-carboxamide
CID 55633440
1-pyrazin-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide
CID 46573519
N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]cyclobutanecarboxamide
CID 2677955

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-1-pyrazin-2-ylpiperidine-3-carboxamide?
The IUPAC name of N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-1-pyrazin-2-ylpiperidine-3-carboxamide (CID 46597005) is N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-1-pyrazin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-1-pyrazin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-1-pyrazin-2-ylpiperidine-3-carboxamide is Cc1sc(NC(=O)C2CCCN(c3cnccn3)C2)nc1-c1ccc(OC(F)F)cc1.
What is the InChIKey of N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-1-pyrazin-2-ylpiperidine-3-carboxamide?
The InChIKey is PFPBVMBXTHRJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2N5O2S/c1-13-18(14-4-6-16(7-5-14)30-20(22)23)26-21(31-13)27-19(29)15-3-2-10-28(12-15)17-11-24-8-9-25-17/h4-9,11,15,20H,2-3,10,12H2,1H3,(H,26,27,29).
What are the key properties of N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-1-pyrazin-2-ylpiperidine-3-carboxamide?
N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-1-pyrazin-2-ylpiperidine-3-carboxamide has a molecular weight of 445.50 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-1-pyrazin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 46597005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).