(2S)-1-[2-(3-methoxyanilino)-1,3-thiazole-4-carbonyl]-N-(2-methoxyethyl)piperidine-2-carboxamide

C20H26N4O4S — CID 93305293

IUPAC(2S)-1-[2-(3-methoxyanilino)-1,3-thiazole-4-carbonyl]-N-(2-methoxyethyl)piperidine-2-carboxamide
SMILESCOCCNC(=O)[C@@H]1CCCCN1C(=O)c1csc(Nc2cccc(OC)c2)n1
InChIInChI=1S/C20H26N4O4S/c1-27-11-9-21-18(25)17-8-3-4-10-24(17)19(26)16-13-29-20(23-16)22-14-6-5-7-15(12-14)28-2/h5-7,12-13,17H,3-4,8-11H2,1-2H3,(H,21,25)(H,22,23)/t17-/m0/s1
InChIKeySACXMIXRKXNBIW-KRWDZBQOSA-N
MW418.52 g/mol
LogP2.65
Rot. Bonds8

About (2S)-1-[2-(3-methoxyanilino)-1,3-thiazole-4-carbonyl]-N-(2-methoxyethyl)piperidine-2-carboxamide

(2S)-1-[2-(3-methoxyanilino)-1,3-thiazole-4-carbonyl]-N-(2-methoxyethyl)piperidine-2-carboxamide (PubChem CID 93305293) has the molecular formula C20H26N4O4S and a molecular weight of 418.52 g/mol. Its IUPAC name is (2S)-1-[2-(3-methoxyanilino)-1,3-thiazole-4-carbonyl]-N-(2-methoxyethyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[2-(3-methoxyanilino)-1,3-thiazole-4-carbonyl]-N-(2-methoxyethyl)piperidine-2-carboxamide
PubChem CID93305293
Molecular FormulaC20H26N4O4S
Molecular Weight418.52 g/mol
Exact Mass418.17
IUPAC Name(2S)-1-[2-(3-methoxyanilino)-1,3-thiazole-4-carbonyl]-N-(2-methoxyethyl)piperidine-2-carboxamide
SMILESCOCCNC(=O)[C@@H]1CCCCN1C(=O)c1csc(Nc2cccc(OC)c2)n1
InChIInChI=1S/C20H26N4O4S/c1-27-11-9-21-18(25)17-8-3-4-10-24(17)19(26)16-13-29-20(23-16)22-14-6-5-7-15(12-14)28-2/h5-7,12-13,17H,3-4,8-11H2,1-2H3,(H,21,25)(H,22,23)/t17-/m0/s1
InChIKeySACXMIXRKXNBIW-KRWDZBQOSA-N
XLogP2.65
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(2R)-1-[2-(3-methoxyanilino)-1,3-thiazole-4-carbonyl]-N-(2-methoxyethyl)piperidine-2-carboxamide
CID 93305294
N-(2-methoxyethyl)-1-[2-[3-(trifluoromethyl)anilino]-1,3-thiazole-4-carbonyl]pyrrolidine-2-carboxamide
CID 42813279
1-[2-(3,4-dichloroanilino)-1,3-thiazole-4-carbonyl]-N-(2-methoxyethyl)pyrrolidine-2-carboxamide
CID 90488367
N-[2-(dimethylamino)ethyl]-1-[2-[3-(trifluoromethyl)anilino]-1,3-thiazole-4-carbonyl]piperidine-2-carboxamide
CID 42813267
1-[2-(4-methoxyanilino)-1,3-thiazole-4-carbonyl]-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide
CID 42813255
(2S)-1-[2-(3,4-dichloroanilino)-1,3-thiazole-4-carbonyl]-N-(2-methylpropyl)piperidine-2-carboxamide
CID 93143143
(2R)-N-[(2S)-butan-2-yl]-1-[2-[3-(trifluoromethyl)anilino]-1,3-thiazole-4-carbonyl]piperidine-2-carboxamide
CID 93305258
(3S)-N-(4-fluorophenyl)-1-[2-(3-methoxyanilino)-1,3-thiazole-4-carbonyl]piperidine-3-carboxamide
CID 93305453
2-(3-methoxyanilino)-N-[3-oxo-3-(propan-2-ylamino)propyl]-1,3-thiazole-4-carboxamide
CID 42813598
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-2-(3-methoxyanilino)-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide
CID 42813570
(2S)-N-(2-methoxyethyl)-1-[5-(4-methylphenyl)-1,2-oxazole-3-carbonyl]piperidine-2-carboxamide
CID 94360991
1-[4-[(4-methoxybenzoyl)amino]benzoyl]-N-(2-methoxyethyl)pyrrolidine-2-carboxamide
CID 50829987

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-(3-methoxyanilino)-1,3-thiazole-4-carbonyl]-N-(2-methoxyethyl)piperidine-2-carboxamide?
The IUPAC name of (2S)-1-[2-(3-methoxyanilino)-1,3-thiazole-4-carbonyl]-N-(2-methoxyethyl)piperidine-2-carboxamide (CID 93305293) is (2S)-1-[2-(3-methoxyanilino)-1,3-thiazole-4-carbonyl]-N-(2-methoxyethyl)piperidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[2-(3-methoxyanilino)-1,3-thiazole-4-carbonyl]-N-(2-methoxyethyl)piperidine-2-carboxamide?
The canonical SMILES for (2S)-1-[2-(3-methoxyanilino)-1,3-thiazole-4-carbonyl]-N-(2-methoxyethyl)piperidine-2-carboxamide is COCCNC(=O)[C@@H]1CCCCN1C(=O)c1csc(Nc2cccc(OC)c2)n1.
What is the InChIKey of (2S)-1-[2-(3-methoxyanilino)-1,3-thiazole-4-carbonyl]-N-(2-methoxyethyl)piperidine-2-carboxamide?
The InChIKey is SACXMIXRKXNBIW-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H26N4O4S/c1-27-11-9-21-18(25)17-8-3-4-10-24(17)19(26)16-13-29-20(23-16)22-14-6-5-7-15(12-14)28-2/h5-7,12-13,17H,3-4,8-11H2,1-2H3,(H,21,25)(H,22,23)/t17-/m0/s1.
What are the key properties of (2S)-1-[2-(3-methoxyanilino)-1,3-thiazole-4-carbonyl]-N-(2-methoxyethyl)piperidine-2-carboxamide?
(2S)-1-[2-(3-methoxyanilino)-1,3-thiazole-4-carbonyl]-N-(2-methoxyethyl)piperidine-2-carboxamide has a molecular weight of 418.52 g/mol, XLogP of 2.65, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-(3-methoxyanilino)-1,3-thiazole-4-carbonyl]-N-(2-methoxyethyl)piperidine-2-carboxamide is sourced from PubChem (CID 93305293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).