2-[4-[2-(4-methoxyanilino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(2-phenoxyethyl)acetamide

C25H29N5O4S — CID 46079084

IUPAC2-[4-[2-(4-methoxyanilino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(2-phenoxyethyl)acetamide
SMILESCOc1ccc(Nc2nc(C(=O)N3CCN(CC(=O)NCCOc4ccccc4)CC3)cs2)cc1
InChIInChI=1S/C25H29N5O4S/c1-33-20-9-7-19(8-10-20)27-25-28-22(18-35-25)24(32)30-14-12-29(13-15-30)17-23(31)26-11-16-34-21-5-3-2-4-6-21/h2-10,18H,11-17H2,1H3,(H,26,31)(H,27,28)
InChIKeyPOFQZUZMXHEKRP-UHFFFAOYSA-N
MW495.61 g/mol
LogP2.85
Rot. Bonds10

About 2-[4-[2-(4-methoxyanilino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(2-phenoxyethyl)acetamide

2-[4-[2-(4-methoxyanilino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(2-phenoxyethyl)acetamide (PubChem CID 46079084) has the molecular formula C25H29N5O4S and a molecular weight of 495.61 g/mol. Its IUPAC name is 2-[4-[2-(4-methoxyanilino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(2-phenoxyethyl)acetamide.

Molecular Properties

Compound Name2-[4-[2-(4-methoxyanilino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(2-phenoxyethyl)acetamide
PubChem CID46079084
Molecular FormulaC25H29N5O4S
Molecular Weight495.61 g/mol
Exact Mass495.19
IUPAC Name2-[4-[2-(4-methoxyanilino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(2-phenoxyethyl)acetamide
SMILESCOc1ccc(Nc2nc(C(=O)N3CCN(CC(=O)NCCOc4ccccc4)CC3)cs2)cc1
InChIInChI=1S/C25H29N5O4S/c1-33-20-9-7-19(8-10-20)27-25-28-22(18-35-25)24(32)30-14-12-29(13-15-30)17-23(31)26-11-16-34-21-5-3-2-4-6-21/h2-10,18H,11-17H2,1H3,(H,26,31)(H,27,28)
InChIKeyPOFQZUZMXHEKRP-UHFFFAOYSA-N
XLogP2.85
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.61
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[2-(4-methoxyanilino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(2-methylpropyl)acetamide
CID 46079079
1-(4-acetylpiperazin-1-yl)-2-[4-[2-(4-methoxyanilino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]ethanone
CID 42876899
N-(3-methoxypropyl)-2-[4-[2-(3-methylanilino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]acetamide
CID 42876951
2-[4-[2-(3-chloroanilino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 42876933
2-[4-[2-(2-chloroanilino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide
CID 46169370
2-[4-(2-anilino-1,3-thiazole-4-carbonyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 42876762
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-phenoxyethyl)acetamide
CID 18196239
N-butyl-2-[4-[2-(4-methoxyphenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]acetamide
CID 18163301
2-(4-methoxyanilino)-N-[3-(2-methoxyethylamino)-3-oxopropyl]-1,3-thiazole-4-carboxamide
CID 42813234
2-[4-[2-(2-fluoroanilino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide
CID 46079107
2-[4-(2-anilino-1,3-thiazole-4-carbonyl)piperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 42876759
N-[2-(4-methoxyphenoxy)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 109004850

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-methoxyanilino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(2-phenoxyethyl)acetamide?
The IUPAC name of 2-[4-[2-(4-methoxyanilino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(2-phenoxyethyl)acetamide (CID 46079084) is 2-[4-[2-(4-methoxyanilino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(2-phenoxyethyl)acetamide.
What is the SMILES notation for 2-[4-[2-(4-methoxyanilino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(2-phenoxyethyl)acetamide?
The canonical SMILES for 2-[4-[2-(4-methoxyanilino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(2-phenoxyethyl)acetamide is COc1ccc(Nc2nc(C(=O)N3CCN(CC(=O)NCCOc4ccccc4)CC3)cs2)cc1.
What is the InChIKey of 2-[4-[2-(4-methoxyanilino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(2-phenoxyethyl)acetamide?
The InChIKey is POFQZUZMXHEKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O4S/c1-33-20-9-7-19(8-10-20)27-25-28-22(18-35-25)24(32)30-14-12-29(13-15-30)17-23(31)26-11-16-34-21-5-3-2-4-6-21/h2-10,18H,11-17H2,1H3,(H,26,31)(H,27,28).
What are the key properties of 2-[4-[2-(4-methoxyanilino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(2-phenoxyethyl)acetamide?
2-[4-[2-(4-methoxyanilino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(2-phenoxyethyl)acetamide has a molecular weight of 495.61 g/mol, XLogP of 2.85, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-methoxyanilino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(2-phenoxyethyl)acetamide is sourced from PubChem (CID 46079084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).