N-[4,5-bis(4-methylphenyl)-1,3-thiazol-2-yl]-1-[(3,5-difluorophenyl)methyl]piperidine-4-carboxamide

C30H29F2N3OS — CID 132941375

IUPACN-[4,5-bis(4-methylphenyl)-1,3-thiazol-2-yl]-1-[(3,5-difluorophenyl)methyl]piperidine-4-carboxamide
SMILESCc1ccc(-c2nc(NC(=O)C3CCN(Cc4cc(F)cc(F)c4)CC3)sc2-c2ccc(C)cc2)cc1
InChIInChI=1S/C30H29F2N3OS/c1-19-3-7-22(8-4-19)27-28(23-9-5-20(2)6-10-23)37-30(33-27)34-29(36)24-11-13-35(14-12-24)18-21-15-25(31)17-26(32)16-21/h3-10,15-17,24H,11-14,18H2,1-2H3,(H,33,34,36)
InChIKeyHOXPBZAZYWNBBS-UHFFFAOYSA-N
MW517.65 g/mol
LogP7.22
Rot. Bonds6

About N-[4,5-bis(4-methylphenyl)-1,3-thiazol-2-yl]-1-[(3,5-difluorophenyl)methyl]piperidine-4-carboxamide

N-[4,5-bis(4-methylphenyl)-1,3-thiazol-2-yl]-1-[(3,5-difluorophenyl)methyl]piperidine-4-carboxamide (PubChem CID 132941375) has the molecular formula C30H29F2N3OS and a molecular weight of 517.65 g/mol. Its IUPAC name is N-[4,5-bis(4-methylphenyl)-1,3-thiazol-2-yl]-1-[(3,5-difluorophenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4,5-bis(4-methylphenyl)-1,3-thiazol-2-yl]-1-[(3,5-difluorophenyl)methyl]piperidine-4-carboxamide
PubChem CID132941375
Molecular FormulaC30H29F2N3OS
Molecular Weight517.65 g/mol
Exact Mass517.20
IUPAC NameN-[4,5-bis(4-methylphenyl)-1,3-thiazol-2-yl]-1-[(3,5-difluorophenyl)methyl]piperidine-4-carboxamide
SMILESCc1ccc(-c2nc(NC(=O)C3CCN(Cc4cc(F)cc(F)c4)CC3)sc2-c2ccc(C)cc2)cc1
InChIInChI=1S/C30H29F2N3OS/c1-19-3-7-22(8-4-19)27-28(23-9-5-20(2)6-10-23)37-30(33-27)34-29(36)24-11-13-35(14-12-24)18-21-15-25(31)17-26(32)16-21/h3-10,15-17,24H,11-14,18H2,1-2H3,(H,33,34,36)
InChIKeyHOXPBZAZYWNBBS-UHFFFAOYSA-N
XLogP7.22
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.65
LogP ≤ 57.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-2-methylpropanamide
CID 1245792
(2S)-2-amino-N-(4,5-diphenyl-1,3-thiazol-2-yl)propanamide
CID 23646351
1-{4-[(9-Fluoro-5,6-dihydro-4H-3-thia-1-aza-benzo[e]azulen-2-ylamino)-methyl]-piperidin-1-yl}-ethanone
CID 9799669
1-[4-(2-Phenylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 44143159
1-[4-(4-Fluorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 44143946
1-[4-(4-Methylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 44143947
1-[4-(2-Fluorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 44144338
1-[4-[4-(Trifluoromethyl)phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 46907749
(2S)-2-amino-N-[4-(4-benzylphenyl)-5-phenyl-1,3-thiazol-2-yl]propanamide
CID 23646352
N-[5-ethyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-N-(3-fluorophenyl)-2-phenylacetamide
CID 1811102
N-[5-ethyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-N-(2-fluorophenyl)-2-phenylacetamide
CID 2194780
2-(2-anilino-4-phenyl-1,3-thiazol-5-yl)-N-benzylacetamide
CID 2457725

Frequently Asked Questions

What is the IUPAC name of N-[4,5-bis(4-methylphenyl)-1,3-thiazol-2-yl]-1-[(3,5-difluorophenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-[4,5-bis(4-methylphenyl)-1,3-thiazol-2-yl]-1-[(3,5-difluorophenyl)methyl]piperidine-4-carboxamide (CID 132941375) is N-[4,5-bis(4-methylphenyl)-1,3-thiazol-2-yl]-1-[(3,5-difluorophenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[4,5-bis(4-methylphenyl)-1,3-thiazol-2-yl]-1-[(3,5-difluorophenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-[4,5-bis(4-methylphenyl)-1,3-thiazol-2-yl]-1-[(3,5-difluorophenyl)methyl]piperidine-4-carboxamide is Cc1ccc(-c2nc(NC(=O)C3CCN(Cc4cc(F)cc(F)c4)CC3)sc2-c2ccc(C)cc2)cc1.
What is the InChIKey of N-[4,5-bis(4-methylphenyl)-1,3-thiazol-2-yl]-1-[(3,5-difluorophenyl)methyl]piperidine-4-carboxamide?
The InChIKey is HOXPBZAZYWNBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29F2N3OS/c1-19-3-7-22(8-4-19)27-28(23-9-5-20(2)6-10-23)37-30(33-27)34-29(36)24-11-13-35(14-12-24)18-21-15-25(31)17-26(32)16-21/h3-10,15-17,24H,11-14,18H2,1-2H3,(H,33,34,36).
What are the key properties of N-[4,5-bis(4-methylphenyl)-1,3-thiazol-2-yl]-1-[(3,5-difluorophenyl)methyl]piperidine-4-carboxamide?
N-[4,5-bis(4-methylphenyl)-1,3-thiazol-2-yl]-1-[(3,5-difluorophenyl)methyl]piperidine-4-carboxamide has a molecular weight of 517.65 g/mol, XLogP of 7.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,5-bis(4-methylphenyl)-1,3-thiazol-2-yl]-1-[(3,5-difluorophenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 132941375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).