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

C24H26FN5O2S — CID 46079107

IUPAC2-[4-[2-(2-fluoroanilino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide
SMILESO=C(CN1CCN(C(=O)c2csc(Nc3ccccc3F)n2)CC1)NCCc1ccccc1
InChIInChI=1S/C24H26FN5O2S/c25-19-8-4-5-9-20(19)27-24-28-21(17-33-24)23(32)30-14-12-29(13-15-30)16-22(31)26-11-10-18-6-2-1-3-7-18/h1-9,17H,10-16H2,(H,26,31)(H,27,28)
InChIKeyWYOZTDWSDUNCKT-UHFFFAOYSA-N
MW467.57 g/mol
LogP3.14
Rot. Bonds8

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

2-[4-[2-(2-fluoroanilino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide (PubChem CID 46079107) has the molecular formula C24H26FN5O2S and a molecular weight of 467.57 g/mol. Its IUPAC name is 2-[4-[2-(2-fluoroanilino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[4-[2-(2-fluoroanilino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide
PubChem CID46079107
Molecular FormulaC24H26FN5O2S
Molecular Weight467.57 g/mol
Exact Mass467.18
IUPAC Name2-[4-[2-(2-fluoroanilino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide
SMILESO=C(CN1CCN(C(=O)c2csc(Nc3ccccc3F)n2)CC1)NCCc1ccccc1
InChIInChI=1S/C24H26FN5O2S/c25-19-8-4-5-9-20(19)27-24-28-21(17-33-24)23(32)30-14-12-29(13-15-30)16-22(31)26-11-10-18-6-2-1-3-7-18/h1-9,17H,10-16H2,(H,26,31)(H,27,28)
InChIKeyWYOZTDWSDUNCKT-UHFFFAOYSA-N
XLogP3.14
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[2-(2-chloroanilino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide
CID 46169370
N-benzyl-2-[4-[2-(ethylamino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]acetamide
CID 42876814
2-[4-(2-anilino-1,3-thiazole-4-carbonyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 42876762
N-benzyl-2-[4-[2-(2-chloroanilino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide
CID 42875366
2-[4-[2-(4-methoxyanilino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(2-phenoxyethyl)acetamide
CID 46079084
2-[4-[2-(benzylamino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone
CID 42876781
2-[4-[2-(cyclohexylamino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-[(4-phenylphenyl)methyl]acetamide
CID 42876740
2-[4-[2-(2,4-dichloroanilino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 42876966
N-(3-methoxypropyl)-2-[4-[2-(3-methylanilino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]acetamide
CID 42876951
2-[4-[2-(4-methoxyanilino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(2-methylpropyl)acetamide
CID 46079079
4-[2-(benzylamino)-2-oxoethyl]-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 17456278
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[4-[2-(3-methylanilino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]ethanone
CID 42876950

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2-fluoroanilino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[4-[2-(2-fluoroanilino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide (CID 46079107) is 2-[4-[2-(2-fluoroanilino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[4-[2-(2-fluoroanilino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[4-[2-(2-fluoroanilino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide is O=C(CN1CCN(C(=O)c2csc(Nc3ccccc3F)n2)CC1)NCCc1ccccc1.
What is the InChIKey of 2-[4-[2-(2-fluoroanilino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide?
The InChIKey is WYOZTDWSDUNCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5O2S/c25-19-8-4-5-9-20(19)27-24-28-21(17-33-24)23(32)30-14-12-29(13-15-30)16-22(31)26-11-10-18-6-2-1-3-7-18/h1-9,17H,10-16H2,(H,26,31)(H,27,28).
What are the key properties of 2-[4-[2-(2-fluoroanilino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide?
2-[4-[2-(2-fluoroanilino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide has a molecular weight of 467.57 g/mol, XLogP of 3.14, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2-fluoroanilino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 46079107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).