4-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]-N-(5-phenyl-1,3-thiazol-2-yl)piperidine-1-carboxamide

C19H21N5O3S — CID 95784454

IUPAC4-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]-N-(5-phenyl-1,3-thiazol-2-yl)piperidine-1-carboxamide
SMILESC[C@]1(C2CCN(C(=O)Nc3ncc(-c4ccccc4)s3)CC2)NC(=O)NC1=O
InChIInChI=1S/C19H21N5O3S/c1-19(15(25)21-16(26)23-19)13-7-9-24(10-8-13)18(27)22-17-20-11-14(28-17)12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3,(H,20,22,27)(H2,21,23,25,26)/t19-/m1/s1
InChIKeyXIWCGQSOALFRTI-LJQANCHMSA-N
MW399.48 g/mol
LogP2.65
Rot. Bonds3

About 4-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]-N-(5-phenyl-1,3-thiazol-2-yl)piperidine-1-carboxamide

4-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]-N-(5-phenyl-1,3-thiazol-2-yl)piperidine-1-carboxamide (PubChem CID 95784454) has the molecular formula C19H21N5O3S and a molecular weight of 399.48 g/mol. Its IUPAC name is 4-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]-N-(5-phenyl-1,3-thiazol-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]-N-(5-phenyl-1,3-thiazol-2-yl)piperidine-1-carboxamide
PubChem CID95784454
Molecular FormulaC19H21N5O3S
Molecular Weight399.48 g/mol
Exact Mass399.14
IUPAC Name4-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]-N-(5-phenyl-1,3-thiazol-2-yl)piperidine-1-carboxamide
SMILESC[C@]1(C2CCN(C(=O)Nc3ncc(-c4ccccc4)s3)CC2)NC(=O)NC1=O
InChIInChI=1S/C19H21N5O3S/c1-19(15(25)21-16(26)23-19)13-7-9-24(10-8-13)18(27)22-17-20-11-14(28-17)12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3,(H,20,22,27)(H2,21,23,25,26)/t19-/m1/s1
InChIKeyXIWCGQSOALFRTI-LJQANCHMSA-N
XLogP2.65
TPSA103.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.48
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

4-anilino-N-(5-phenyl-1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 86855015
(3R)-1-N-(5-phenyl-1,3-thiazol-2-yl)pyrrolidine-1,3-dicarboxamide
CID 94153836
(2S)-N-(5-phenyl-1,3-thiazol-2-yl)-2-propan-2-ylthiomorpholine-4-carboxamide
CID 100629837
(3S)-3-[(5-phenyl-1,3-thiazol-2-yl)carbamoyl]pyrrolidine-1-carboxylic acid
CID 118980355
N-(3-chloro-2-morpholin-4-ylphenyl)-4-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]piperidine-1-carboxamide
CID 95784456
N-(5-phenyl-1,3-thiazol-2-yl)cyclopropanecarboxamide
CID 10125249
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
5-methyl-N-(5-phenyl-1,3-thiazol-2-yl)pyrazine-2-carboxamide
CID 47028163
N-(5-phenyl-1,3-thiazol-2-yl)piperidine-2-carboxamide
CID 119287690
tert-butyl (3S)-3-[(5-phenyl-1,3-thiazol-2-yl)carbamoyl]pyrrolidine-1-carboxylate
CID 130377054

Frequently Asked Questions

What is the IUPAC name of 4-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]-N-(5-phenyl-1,3-thiazol-2-yl)piperidine-1-carboxamide?
The IUPAC name of 4-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]-N-(5-phenyl-1,3-thiazol-2-yl)piperidine-1-carboxamide (CID 95784454) is 4-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]-N-(5-phenyl-1,3-thiazol-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]-N-(5-phenyl-1,3-thiazol-2-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]-N-(5-phenyl-1,3-thiazol-2-yl)piperidine-1-carboxamide is C[C@]1(C2CCN(C(=O)Nc3ncc(-c4ccccc4)s3)CC2)NC(=O)NC1=O.
What is the InChIKey of 4-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]-N-(5-phenyl-1,3-thiazol-2-yl)piperidine-1-carboxamide?
The InChIKey is XIWCGQSOALFRTI-LJQANCHMSA-N. The full InChI is InChI=1S/C19H21N5O3S/c1-19(15(25)21-16(26)23-19)13-7-9-24(10-8-13)18(27)22-17-20-11-14(28-17)12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3,(H,20,22,27)(H2,21,23,25,26)/t19-/m1/s1.
What are the key properties of 4-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]-N-(5-phenyl-1,3-thiazol-2-yl)piperidine-1-carboxamide?
4-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]-N-(5-phenyl-1,3-thiazol-2-yl)piperidine-1-carboxamide has a molecular weight of 399.48 g/mol, XLogP of 2.65, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]-N-(5-phenyl-1,3-thiazol-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 95784454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).