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

C21H21N3O2S — CID 87406747

IUPACN-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
SMILESO=C(Nc1nc(-c2ccc(Oc3ccccc3)cc2)cs1)C1CCNCC1
InChIInChI=1S/C21H21N3O2S/c25-20(16-10-12-22-13-11-16)24-21-23-19(14-27-21)15-6-8-18(9-7-15)26-17-4-2-1-3-5-17/h1-9,14,16,22H,10-13H2,(H,23,24,25)
InChIKeyJUMWIFBALPOMLD-UHFFFAOYSA-N
MW379.49 g/mol
LogP4.54
Rot. Bonds5

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

N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide (PubChem CID 87406747) has the molecular formula C21H21N3O2S and a molecular weight of 379.49 g/mol. Its IUPAC name is N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
PubChem CID87406747
Molecular FormulaC21H21N3O2S
Molecular Weight379.49 g/mol
Exact Mass379.14
IUPAC NameN-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
SMILESO=C(Nc1nc(-c2ccc(Oc3ccccc3)cc2)cs1)C1CCNCC1
InChIInChI=1S/C21H21N3O2S/c25-20(16-10-12-22-13-11-16)24-21-23-19(14-27-21)15-6-8-18(9-7-15)26-17-4-2-1-3-5-17/h1-9,14,16,22H,10-13H2,(H,23,24,25)
InChIKeyJUMWIFBALPOMLD-UHFFFAOYSA-N
XLogP4.54
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 87405721
N-[4-(2-phenylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 87406366
N-(4-phenyl-1,3-thiazol-2-yl)cyclopentanecarboxamide
CID 2163654
N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide
CID 4111369
1-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]-3-phenylurea
CID 1044223
1-(benzenesulfonyl)-N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]piperidine-3-carboxamide
CID 16861540
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-oxocyclohexane-1-carboxamide
CID 126509238
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]cyclobutanecarboxamide
CID 7733333
N-[4-(2,3-dihydro-1-benzofuran-6-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 87405651
N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 119300523
N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
CID 8718079
3-nitro-N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 4133281

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The IUPAC name of N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide (CID 87406747) is N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The canonical SMILES for N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide is O=C(Nc1nc(-c2ccc(Oc3ccccc3)cc2)cs1)C1CCNCC1.
What is the InChIKey of N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The InChIKey is JUMWIFBALPOMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2S/c25-20(16-10-12-22-13-11-16)24-21-23-19(14-27-21)15-6-8-18(9-7-15)26-17-4-2-1-3-5-17/h1-9,14,16,22H,10-13H2,(H,23,24,25).
What are the key properties of N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide has a molecular weight of 379.49 g/mol, XLogP of 4.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 87406747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).