4-anilino-N-(5-phenyl-1,3-thiazol-2-yl)piperidine-1-carboxamide

C21H22N4OS — CID 86855015

IUPAC4-anilino-N-(5-phenyl-1,3-thiazol-2-yl)piperidine-1-carboxamide
SMILESO=C(Nc1ncc(-c2ccccc2)s1)N1CCC(Nc2ccccc2)CC1
InChIInChI=1S/C21H22N4OS/c26-21(24-20-22-15-19(27-20)16-7-3-1-4-8-16)25-13-11-18(12-14-25)23-17-9-5-2-6-10-17/h1-10,15,18,23H,11-14H2,(H,22,24,26)
InChIKeyVUFPJBBESQKPJH-UHFFFAOYSA-N
MW378.50 g/mol
LogP4.92
Rot. Bonds4

About 4-anilino-N-(5-phenyl-1,3-thiazol-2-yl)piperidine-1-carboxamide

4-anilino-N-(5-phenyl-1,3-thiazol-2-yl)piperidine-1-carboxamide (PubChem CID 86855015) has the molecular formula C21H22N4OS and a molecular weight of 378.50 g/mol. Its IUPAC name is 4-anilino-N-(5-phenyl-1,3-thiazol-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-anilino-N-(5-phenyl-1,3-thiazol-2-yl)piperidine-1-carboxamide
PubChem CID86855015
Molecular FormulaC21H22N4OS
Molecular Weight378.50 g/mol
Exact Mass378.15
IUPAC Name4-anilino-N-(5-phenyl-1,3-thiazol-2-yl)piperidine-1-carboxamide
SMILESO=C(Nc1ncc(-c2ccccc2)s1)N1CCC(Nc2ccccc2)CC1
InChIInChI=1S/C21H22N4OS/c26-21(24-20-22-15-19(27-20)16-7-3-1-4-8-16)25-13-11-18(12-14-25)23-17-9-5-2-6-10-17/h1-10,15,18,23H,11-14H2,(H,22,24,26)
InChIKeyVUFPJBBESQKPJH-UHFFFAOYSA-N
XLogP4.92
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-N-(5-phenyl-1,3-thiazol-2-yl)pyrrolidine-1,3-dicarboxamide
CID 94153836
4-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]-N-(5-phenyl-1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 95784454
(3S)-3-[(5-phenyl-1,3-thiazol-2-yl)carbamoyl]pyrrolidine-1-carboxylic acid
CID 118980355
N-(5-phenyl-1,3-thiazol-2-yl)cyclopropanecarboxamide
CID 10125249
(2S)-N-(5-phenyl-1,3-thiazol-2-yl)-2-propan-2-ylthiomorpholine-4-carboxamide
CID 100629837
2-(2-methoxyphenyl)-1-[4-[(5-phenyl-1,3-thiazol-2-yl)amino]piperidin-1-yl]ethanone
CID 133447415
N-(1-cyclopropylpiperidin-4-yl)-5-phenyl-1,3-thiazol-2-amine
CID 133369991
2-(cyclopropylmethylamino)-N-(5-phenyl-1,3-thiazol-2-yl)acetamide
CID 119720410
1-methyl-N-(5-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide;molecular hydrogen
CID 178083926
2-(cyclopropylmethylamino)-N-(5-phenyl-1,3-thiazol-2-yl)acetamide;hydrochloride
CID 119720409
1-(4-hydroxycyclohexyl)-3-(5-phenyl-1,3-thiazol-2-yl)urea
CID 110890971
(3S)-1-ethynyl-N-(5-phenyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 155329438

Frequently Asked Questions

What is the IUPAC name of 4-anilino-N-(5-phenyl-1,3-thiazol-2-yl)piperidine-1-carboxamide?
The IUPAC name of 4-anilino-N-(5-phenyl-1,3-thiazol-2-yl)piperidine-1-carboxamide (CID 86855015) is 4-anilino-N-(5-phenyl-1,3-thiazol-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-anilino-N-(5-phenyl-1,3-thiazol-2-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-anilino-N-(5-phenyl-1,3-thiazol-2-yl)piperidine-1-carboxamide is O=C(Nc1ncc(-c2ccccc2)s1)N1CCC(Nc2ccccc2)CC1.
What is the InChIKey of 4-anilino-N-(5-phenyl-1,3-thiazol-2-yl)piperidine-1-carboxamide?
The InChIKey is VUFPJBBESQKPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4OS/c26-21(24-20-22-15-19(27-20)16-7-3-1-4-8-16)25-13-11-18(12-14-25)23-17-9-5-2-6-10-17/h1-10,15,18,23H,11-14H2,(H,22,24,26).
What are the key properties of 4-anilino-N-(5-phenyl-1,3-thiazol-2-yl)piperidine-1-carboxamide?
4-anilino-N-(5-phenyl-1,3-thiazol-2-yl)piperidine-1-carboxamide has a molecular weight of 378.50 g/mol, XLogP of 4.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-N-(5-phenyl-1,3-thiazol-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 86855015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).