N-(3-methoxypropyl)-1-[2-(4-methylanilino)-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide

C21H28N4O3S — CID 3471851

IUPACN-(3-methoxypropyl)-1-[2-(4-methylanilino)-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide
SMILESCOCCCNC(=O)C1CCN(C(=O)c2csc(Nc3ccc(C)cc3)n2)CC1
InChIInChI=1S/C21H28N4O3S/c1-15-4-6-17(7-5-15)23-21-24-18(14-29-21)20(27)25-11-8-16(9-12-25)19(26)22-10-3-13-28-2/h4-7,14,16H,3,8-13H2,1-2H3,(H,22,26)(H,23,24)
InChIKeyUSDLVAARFQEUCE-UHFFFAOYSA-N
MW416.55 g/mol
LogP3.20
Rot. Bonds8

About N-(3-methoxypropyl)-1-[2-(4-methylanilino)-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide

N-(3-methoxypropyl)-1-[2-(4-methylanilino)-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide (PubChem CID 3471851) has the molecular formula C21H28N4O3S and a molecular weight of 416.55 g/mol. Its IUPAC name is N-(3-methoxypropyl)-1-[2-(4-methylanilino)-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-1-[2-(4-methylanilino)-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide
PubChem CID3471851
Molecular FormulaC21H28N4O3S
Molecular Weight416.55 g/mol
Exact Mass416.19
IUPAC NameN-(3-methoxypropyl)-1-[2-(4-methylanilino)-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide
SMILESCOCCCNC(=O)C1CCN(C(=O)c2csc(Nc3ccc(C)cc3)n2)CC1
InChIInChI=1S/C21H28N4O3S/c1-15-4-6-17(7-5-15)23-21-24-18(14-29-21)20(27)25-11-8-16(9-12-25)19(26)22-10-3-13-28-2/h4-7,14,16H,3,8-13H2,1-2H3,(H,22,26)(H,23,24)
InChIKeyUSDLVAARFQEUCE-UHFFFAOYSA-N
XLogP3.20
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.55
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl 1-[2-(4-methylanilino)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylate
CID 3974706
N-(3-methoxypropyl)-2-[4-[2-(3-methylanilino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]acetamide
CID 42876951
[1-[2-(4-methylanilino)-1,3-thiazole-4-carbonyl]piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 648500
1-[2-(4-methylanilino)-1,3-thiazole-4-carbonyl]-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide
CID 35263116
ethyl (3R)-1-[2-(4-methylanilino)-1,3-thiazole-4-carbonyl]piperidine-3-carboxylate
CID 41201409
2-[4-[2-(2-chloroanilino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide
CID 46169370
N-(3-methoxypropyl)-1-[3-[(4-methylphenyl)sulfamoyl]benzoyl]piperidine-4-carboxamide
CID 55954327
N-butyl-2-(4-methylanilino)-1,3-thiazole-4-carboxamide
CID 3974707
N-(3-methoxypropyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 17465957
5-[(3S)-3-(3-methoxypropylcarbamoyl)piperidine-1-carbonyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 92890544
N-(2-hydroxyethyl)-2-(4-methylanilino)-1,3-thiazole-4-carboxamide
CID 3978830
azepan-1-yl-[2-(3,4-dimethylanilino)-1,3-thiazol-4-yl]methanone
CID 35263044

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-1-[2-(4-methylanilino)-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-1-[2-(4-methylanilino)-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide (CID 3471851) is N-(3-methoxypropyl)-1-[2-(4-methylanilino)-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-1-[2-(4-methylanilino)-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-1-[2-(4-methylanilino)-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide is COCCCNC(=O)C1CCN(C(=O)c2csc(Nc3ccc(C)cc3)n2)CC1.
What is the InChIKey of N-(3-methoxypropyl)-1-[2-(4-methylanilino)-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide?
The InChIKey is USDLVAARFQEUCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3S/c1-15-4-6-17(7-5-15)23-21-24-18(14-29-21)20(27)25-11-8-16(9-12-25)19(26)22-10-3-13-28-2/h4-7,14,16H,3,8-13H2,1-2H3,(H,22,26)(H,23,24).
What are the key properties of N-(3-methoxypropyl)-1-[2-(4-methylanilino)-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide?
N-(3-methoxypropyl)-1-[2-(4-methylanilino)-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide has a molecular weight of 416.55 g/mol, XLogP of 3.20, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-1-[2-(4-methylanilino)-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 3471851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).