N-(2-chlorophenyl)-2-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]acetamide

C21H20ClFN4OS — CID 1438341

IUPACN-(2-chlorophenyl)-2-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1)Nc1ccccc1Cl
InChIInChI=1S/C21H20ClFN4OS/c22-17-3-1-2-4-18(17)24-20(28)13-26-9-11-27(12-10-26)21-25-19(14-29-21)15-5-7-16(23)8-6-15/h1-8,14H,9-13H2,(H,24,28)
InChIKeyYARBBWGGSIMKGK-UHFFFAOYSA-N
MW430.94 g/mol
LogP4.36
Rot. Bonds5

About N-(2-chlorophenyl)-2-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]acetamide

N-(2-chlorophenyl)-2-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]acetamide (PubChem CID 1438341) has the molecular formula C21H20ClFN4OS and a molecular weight of 430.94 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]acetamide
PubChem CID1438341
Molecular FormulaC21H20ClFN4OS
Molecular Weight430.94 g/mol
Exact Mass430.10
IUPAC NameN-(2-chlorophenyl)-2-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1)Nc1ccccc1Cl
InChIInChI=1S/C21H20ClFN4OS/c22-17-3-1-2-4-18(17)24-20(28)13-26-9-11-27(12-10-26)21-25-19(14-29-21)15-5-7-16(23)8-6-15/h1-8,14H,9-13H2,(H,24,28)
InChIKeyYARBBWGGSIMKGK-UHFFFAOYSA-N
XLogP4.36
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.94
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(4-Chlorophenyl)-1,3-thiazol-2-yl]-4-phenylpiperazine
CID 1241189
1-(2,6-Dichlorophenyl)-1-(4-(4-fluorophenyl)thiazol-2-yl)urea
CID 9886241
{2-[(2,6-Dichlorophenyl)amino](1,3-thiazol-4-yl)}-n-[4-(trifluoromethyl)phenyl]-carboxamide
CID 11661966
2-{4-[4-(4-Fluoro-phenyl)-thiazol-2-yl]-piperazin-1-yl}-acetamide
CID 1438328
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(diethylamino)acetamide
CID 1477251
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[2-[(2-sulfanylidene-1H-quinazolin-4-yl)amino]-1,3-thiazol-4-yl]ethanone
CID 4121856
1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-[2-[(2-sulfanylidene-1H-quinazolin-4-yl)amino]-1,3-thiazol-4-yl]ethanone
CID 4121858
4-(2,4-Dichlorophenyl)-2-[(4-acetamidophenyl)amino]-3-(prop-2-EN-1-YL)-1,3-thiazol-3-ium chloride
CID 16196128
[2-(4-Chloro-2-fluoroanilino)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 71818280
4-(4-chlorophenyl)-N-(4-morpholin-4-ylphenyl)-1,3-thiazol-2-amine
CID 118708824
N-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide
CID 155543855
N-(2-chloro-4-fluorophenyl)-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide
CID 155548380

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]acetamide (CID 1438341) is N-(2-chlorophenyl)-2-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]acetamide is O=C(CN1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-2-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]acetamide?
The InChIKey is YARBBWGGSIMKGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClFN4OS/c22-17-3-1-2-4-18(17)24-20(28)13-26-9-11-27(12-10-26)21-25-19(14-29-21)15-5-7-16(23)8-6-15/h1-8,14H,9-13H2,(H,24,28).
What are the key properties of N-(2-chlorophenyl)-2-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]acetamide?
N-(2-chlorophenyl)-2-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]acetamide has a molecular weight of 430.94 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]acetamide is sourced from PubChem (CID 1438341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).