N-[2-[3-(1,1-difluoroethyl)phenyl]phenyl]-2-[1-(3-phenylpropyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide

C32H33F2N3OS — CID 142982576

IUPACN-[2-[3-(1,1-difluoroethyl)phenyl]phenyl]-2-[1-(3-phenylpropyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
SMILESCC(F)(F)c1cccc(-c2ccccc2NC(=O)c2csc(C3CCN(CCCc4ccccc4)CC3)n2)c1
InChIInChI=1S/C32H33F2N3OS/c1-32(33,34)26-13-7-12-25(21-26)27-14-5-6-15-28(27)35-30(38)29-22-39-31(36-29)24-16-19-37(20-17-24)18-8-11-23-9-3-2-4-10-23/h2-7,9-10,12-15,21-22,24H,8,11,16-20H2,1H3,(H,35,38)
InChIKeyYOPMUGOPZXNXSU-UHFFFAOYSA-N
MW545.70 g/mol
LogP7.99
Rot. Bonds9

About N-[2-[3-(1,1-difluoroethyl)phenyl]phenyl]-2-[1-(3-phenylpropyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide

N-[2-[3-(1,1-difluoroethyl)phenyl]phenyl]-2-[1-(3-phenylpropyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide (PubChem CID 142982576) has the molecular formula C32H33F2N3OS and a molecular weight of 545.70 g/mol. Its IUPAC name is N-[2-[3-(1,1-difluoroethyl)phenyl]phenyl]-2-[1-(3-phenylpropyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[3-(1,1-difluoroethyl)phenyl]phenyl]-2-[1-(3-phenylpropyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
PubChem CID142982576
Molecular FormulaC32H33F2N3OS
Molecular Weight545.70 g/mol
Exact Mass545.23
IUPAC NameN-[2-[3-(1,1-difluoroethyl)phenyl]phenyl]-2-[1-(3-phenylpropyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
SMILESCC(F)(F)c1cccc(-c2ccccc2NC(=O)c2csc(C3CCN(CCCc4ccccc4)CC3)n2)c1
InChIInChI=1S/C32H33F2N3OS/c1-32(33,34)26-13-7-12-25(21-26)27-14-5-6-15-28(27)35-30(38)29-22-39-31(36-29)24-16-19-37(20-17-24)18-8-11-23-9-3-2-4-10-23/h2-7,9-10,12-15,21-22,24H,8,11,16-20H2,1H3,(H,35,38)
InChIKeyYOPMUGOPZXNXSU-UHFFFAOYSA-N
XLogP7.99
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.70
LogP ≤ 57.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[3-(1,1-difluoroethyl)phenyl]phenyl]-2-[1-(3-methylsulfanylpropyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 142983158
2-[1-(5-hydroxypentyl)piperidin-4-yl]-N-[2-[3-(trifluoromethyl)phenyl]phenyl]-1,3-thiazole-4-carboxamide
CID 59210108
N-[2-[3-(1,1-difluoroethyl)phenyl]phenyl]-2-[1-[3-(4-hydroxyphenyl)propanoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 142982584
N-[2-[3-(1,1-difluoroethyl)phenyl]phenyl]-2-[1-(3-pyridin-3-ylpropanoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 142983250
methyl 4-[4-[4-[[2-[3-(1,1-difluoroethyl)phenyl]phenyl]carbamoyl]-1,3-thiazol-2-yl]piperidin-1-yl]-4-oxobutanoate
CID 142982963
ethyl 2-[[4-[4-[[2-[3-(1,1-difluoroethyl)phenyl]phenyl]carbamoyl]-1,3-thiazol-2-yl]piperidine-1-carbothioyl]amino]propanoate
CID 142982709
2-[1-(butylcarbamoyl)piperidin-4-yl]-N-[2-[3-(trifluoromethyl)phenyl]phenyl]-1,3-thiazole-4-carboxamide
CID 70908059
butyl 4-[4-[[2-[3-(trifluoromethyl)phenyl]phenyl]carbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate
CID 59209500
2-[1-[(Z)-3-pyridin-4-ylprop-2-enyl]piperidin-4-yl]-N-[2-[3-(trifluoromethyl)phenyl]phenyl]-1,3-thiazole-4-carboxamide
CID 59208792
2-[1-(2-hydroxyhexanoyl)piperidin-4-yl]-N-[2-[3-(trifluoromethyl)phenyl]phenyl]-1,3-thiazole-4-carboxamide
CID 59209391
2-[1-[(2R)-2-hydroxy-2-methyl-3-phenylpropanoyl]piperidin-4-yl]-N-(2-phenylphenyl)-1,3-thiazole-4-carboxamide
CID 142983094
N-[2-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-[1-(3-phenylpropyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 59209179

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(1,1-difluoroethyl)phenyl]phenyl]-2-[1-(3-phenylpropyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-[3-(1,1-difluoroethyl)phenyl]phenyl]-2-[1-(3-phenylpropyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide (CID 142982576) is N-[2-[3-(1,1-difluoroethyl)phenyl]phenyl]-2-[1-(3-phenylpropyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-[3-(1,1-difluoroethyl)phenyl]phenyl]-2-[1-(3-phenylpropyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-[3-(1,1-difluoroethyl)phenyl]phenyl]-2-[1-(3-phenylpropyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide is CC(F)(F)c1cccc(-c2ccccc2NC(=O)c2csc(C3CCN(CCCc4ccccc4)CC3)n2)c1.
What is the InChIKey of N-[2-[3-(1,1-difluoroethyl)phenyl]phenyl]-2-[1-(3-phenylpropyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is YOPMUGOPZXNXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33F2N3OS/c1-32(33,34)26-13-7-12-25(21-26)27-14-5-6-15-28(27)35-30(38)29-22-39-31(36-29)24-16-19-37(20-17-24)18-8-11-23-9-3-2-4-10-23/h2-7,9-10,12-15,21-22,24H,8,11,16-20H2,1H3,(H,35,38).
What are the key properties of N-[2-[3-(1,1-difluoroethyl)phenyl]phenyl]-2-[1-(3-phenylpropyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide?
N-[2-[3-(1,1-difluoroethyl)phenyl]phenyl]-2-[1-(3-phenylpropyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 545.70 g/mol, XLogP of 7.99, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(1,1-difluoroethyl)phenyl]phenyl]-2-[1-(3-phenylpropyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 142982576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).