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

C24H25N5O3S — CID 166182755

IUPAC3-(1,3-benzothiazol-2-yl)-N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]piperidine-1-carboxamide
SMILESCC1(c2cccc(CNC(=O)N3CCCC(c4nc5ccccc5s4)C3)c2)NC(=O)NC1=O
InChIInChI=1S/C24H25N5O3S/c1-24(21(30)27-22(31)28-24)17-8-4-6-15(12-17)13-25-23(32)29-11-5-7-16(14-29)20-26-18-9-2-3-10-19(18)33-20/h2-4,6,8-10,12,16H,5,7,11,13-14H2,1H3,(H,25,32)(H2,27,28,30,31)
InChIKeySPXMQUCKUJIQGH-UHFFFAOYSA-N
MW463.56 g/mol
LogP3.44
Rot. Bonds4

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

3-(1,3-benzothiazol-2-yl)-N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]piperidine-1-carboxamide (PubChem CID 166182755) has the molecular formula C24H25N5O3S and a molecular weight of 463.56 g/mol. Its IUPAC name is 3-(1,3-benzothiazol-2-yl)-N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(1,3-benzothiazol-2-yl)-N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]piperidine-1-carboxamide
PubChem CID166182755
Molecular FormulaC24H25N5O3S
Molecular Weight463.56 g/mol
Exact Mass463.17
IUPAC Name3-(1,3-benzothiazol-2-yl)-N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]piperidine-1-carboxamide
SMILESCC1(c2cccc(CNC(=O)N3CCCC(c4nc5ccccc5s4)C3)c2)NC(=O)NC1=O
InChIInChI=1S/C24H25N5O3S/c1-24(21(30)27-22(31)28-24)17-8-4-6-15(12-17)13-25-23(32)29-11-5-7-16(14-29)20-26-18-9-2-3-10-19(18)33-20/h2-4,6,8-10,12,16H,5,7,11,13-14H2,1H3,(H,25,32)(H2,27,28,30,31)
InChIKeySPXMQUCKUJIQGH-UHFFFAOYSA-N
XLogP3.44
TPSA103.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.56
LogP ≤ 53.44
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-(1H-benzimidazol-2-yl)-N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]piperidine-1-carboxamide
CID 154833713
N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]-3-[(2-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide
CID 154837514
N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide
CID 154840618
(5S)-3-[2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione
CID 41157222
(5R)-3-[2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 41183639
N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-carboxamide
CID 166231958
(5R)-3-[2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione
CID 8576352
4-(5-chloro-1,3-benzoxazol-2-yl)-N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]piperidine-1-carboxamide
CID 154833714
2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-benzylacetamide
CID 9388960
1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-methylsulfanylethanone
CID 9233059
4-[(3R)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one
CID 9223935
3-(4-acetyltriazol-1-yl)-N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]azetidine-1-carboxamide
CID 154849351

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzothiazol-2-yl)-N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]piperidine-1-carboxamide?
The IUPAC name of 3-(1,3-benzothiazol-2-yl)-N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]piperidine-1-carboxamide (CID 166182755) is 3-(1,3-benzothiazol-2-yl)-N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]piperidine-1-carboxamide.
What is the SMILES notation for 3-(1,3-benzothiazol-2-yl)-N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]piperidine-1-carboxamide?
The canonical SMILES for 3-(1,3-benzothiazol-2-yl)-N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]piperidine-1-carboxamide is CC1(c2cccc(CNC(=O)N3CCCC(c4nc5ccccc5s4)C3)c2)NC(=O)NC1=O.
What is the InChIKey of 3-(1,3-benzothiazol-2-yl)-N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]piperidine-1-carboxamide?
The InChIKey is SPXMQUCKUJIQGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3S/c1-24(21(30)27-22(31)28-24)17-8-4-6-15(12-17)13-25-23(32)29-11-5-7-16(14-29)20-26-18-9-2-3-10-19(18)33-20/h2-4,6,8-10,12,16H,5,7,11,13-14H2,1H3,(H,25,32)(H2,27,28,30,31).
What are the key properties of 3-(1,3-benzothiazol-2-yl)-N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]piperidine-1-carboxamide?
3-(1,3-benzothiazol-2-yl)-N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]piperidine-1-carboxamide has a molecular weight of 463.56 g/mol, XLogP of 3.44, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzothiazol-2-yl)-N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]piperidine-1-carboxamide is sourced from PubChem (CID 166182755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).