1-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide

C21H21N3OS — CID 46907711

IUPAC1-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2nc(-c3ccc(-c4ccccc4)cc3)cs2)CC1
InChIInChI=1S/C21H21N3OS/c22-20(25)18-10-12-24(13-11-18)21-23-19(14-26-21)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-9,14,18H,10-13H2,(H2,22,25)
InChIKeyOPQZSQDVNUCLME-UHFFFAOYSA-N
MW363.49 g/mol
LogP4.18
Rot. Bonds4

About 1-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide

1-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide (PubChem CID 46907711) has the molecular formula C21H21N3OS and a molecular weight of 363.49 g/mol. Its IUPAC name is 1-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
PubChem CID46907711
Molecular FormulaC21H21N3OS
Molecular Weight363.49 g/mol
Exact Mass363.14
IUPAC Name1-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2nc(-c3ccc(-c4ccccc4)cc3)cs2)CC1
InChIInChI=1S/C21H21N3OS/c22-20(25)18-10-12-24(13-11-18)21-23-19(14-26-21)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-9,14,18H,10-13H2,(H2,22,25)
InChIKeyOPQZSQDVNUCLME-UHFFFAOYSA-N
XLogP4.18
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.49
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 46907749
1-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 46907660
1-(4-phenyl-1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 4208594
1-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 46907689
1-(4-naphthalen-1-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 630762
1-[4-[2-(hydroxyamino)phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 123534585
1-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 46907682
4-phenyl-2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole
CID 14573306
N-[1-(4-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]acetamide
CID 133278132
N-benzyl-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 133370734
1-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 623279
4-(2-piperidin-1-yl-1,3-thiazol-4-yl)benzoic acid
CID 58256899

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide (CID 46907711) is 1-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide is NC(=O)C1CCN(c2nc(-c3ccc(-c4ccccc4)cc3)cs2)CC1.
What is the InChIKey of 1-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The InChIKey is OPQZSQDVNUCLME-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3OS/c22-20(25)18-10-12-24(13-11-18)21-23-19(14-26-21)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-9,14,18H,10-13H2,(H2,22,25).
What are the key properties of 1-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
1-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide has a molecular weight of 363.49 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 46907711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).