N-[1-(2,5-difluorophenyl)ethyl]-2-[3-fluoro-4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide

C23H29F3N4OS — CID 162434999

IUPACN-[1-(2,5-difluorophenyl)ethyl]-2-[3-fluoro-4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide
SMILESCC(NC(=O)c1cnc(N2CCC(N3CCC[C@@H](C)C3)C(F)C2)s1)c1cc(F)ccc1F
InChIInChI=1S/C23H29F3N4OS/c1-14-4-3-8-29(12-14)20-7-9-30(13-19(20)26)23-27-11-21(32-23)22(31)28-15(2)17-10-16(24)5-6-18(17)25/h5-6,10-11,14-15,19-20H,3-4,7-9,12-13H2,1-2H3,(H,28,31)/t14-,15?,19?,20?/m1/s1
InChIKeyPTRXQRSHVTXSJT-FGBLYHGVSA-N
MW466.57 g/mol
LogP4.56
Rot. Bonds5

About N-[1-(2,5-difluorophenyl)ethyl]-2-[3-fluoro-4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide

N-[1-(2,5-difluorophenyl)ethyl]-2-[3-fluoro-4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide (PubChem CID 162434999) has the molecular formula C23H29F3N4OS and a molecular weight of 466.57 g/mol. Its IUPAC name is N-[1-(2,5-difluorophenyl)ethyl]-2-[3-fluoro-4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(2,5-difluorophenyl)ethyl]-2-[3-fluoro-4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide
PubChem CID162434999
Molecular FormulaC23H29F3N4OS
Molecular Weight466.57 g/mol
Exact Mass466.20
IUPAC NameN-[1-(2,5-difluorophenyl)ethyl]-2-[3-fluoro-4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide
SMILESCC(NC(=O)c1cnc(N2CCC(N3CCC[C@@H](C)C3)C(F)C2)s1)c1cc(F)ccc1F
InChIInChI=1S/C23H29F3N4OS/c1-14-4-3-8-29(12-14)20-7-9-30(13-19(20)26)23-27-11-21(32-23)22(31)28-15(2)17-10-16(24)5-6-18(17)25/h5-6,10-11,14-15,19-20H,3-4,7-9,12-13H2,1-2H3,(H,28,31)/t14-,15?,19?,20?/m1/s1
InChIKeyPTRXQRSHVTXSJT-FGBLYHGVSA-N
XLogP4.56
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.57
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-[4-(5-azaspiro[2.5]octan-5-yl)-3-fluoropiperidin-1-yl]-N-[(3,5-difluoro-2-pyridinyl)methyl]-1,3-thiazole-5-carboxamide
CID 156735161
MF-152
CID 11973722
2-(4-(2-(Trifluoromethyl)benzyl)piperazin-1-yl)thiazole-5-carboxamide
CID 46880665
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
N-[5-(4-fluoro-4-phenyl-piperidin-1-ylmethyl)-thiazol-2-yl]-acetamide
CID 86275306
1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-benzylpiperidine-4-carboxamide
CID 163368392
US20240000767, Example 113
CID 156735009
US20240000767, Example 103
CID 156735053
US20240000767, Example 133
CID 156735066
US12540134, Example 127
CID 156735214
2-(4-benzylpiperazin-1-yl)-N-hydroxy-1,3-thiazole-5-carboxamide
CID 11631108

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-difluorophenyl)ethyl]-2-[3-fluoro-4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[1-(2,5-difluorophenyl)ethyl]-2-[3-fluoro-4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide (CID 162434999) is N-[1-(2,5-difluorophenyl)ethyl]-2-[3-fluoro-4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[1-(2,5-difluorophenyl)ethyl]-2-[3-fluoro-4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[1-(2,5-difluorophenyl)ethyl]-2-[3-fluoro-4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide is CC(NC(=O)c1cnc(N2CCC(N3CCC[C@@H](C)C3)C(F)C2)s1)c1cc(F)ccc1F.
What is the InChIKey of N-[1-(2,5-difluorophenyl)ethyl]-2-[3-fluoro-4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is PTRXQRSHVTXSJT-FGBLYHGVSA-N. The full InChI is InChI=1S/C23H29F3N4OS/c1-14-4-3-8-29(12-14)20-7-9-30(13-19(20)26)23-27-11-21(32-23)22(31)28-15(2)17-10-16(24)5-6-18(17)25/h5-6,10-11,14-15,19-20H,3-4,7-9,12-13H2,1-2H3,(H,28,31)/t14-,15?,19?,20?/m1/s1.
What are the key properties of N-[1-(2,5-difluorophenyl)ethyl]-2-[3-fluoro-4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide?
N-[1-(2,5-difluorophenyl)ethyl]-2-[3-fluoro-4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 466.57 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-difluorophenyl)ethyl]-2-[3-fluoro-4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 162434999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).