N-(2-ethylphenyl)-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide

C22H23FN4OS — CID 1438361

IUPACN-(2-ethylphenyl)-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide
SMILESCCc1ccccc1NC(=O)N1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1
InChIInChI=1S/C22H23FN4OS/c1-2-16-5-3-4-6-19(16)24-21(28)26-11-13-27(14-12-26)22-25-20(15-29-22)17-7-9-18(23)10-8-17/h3-10,15H,2,11-14H2,1H3,(H,24,28)
InChIKeyDYSNZVPIIJRYOZ-UHFFFAOYSA-N
MW410.52 g/mol
LogP4.87
Rot. Bonds4

About N-(2-ethylphenyl)-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide

N-(2-ethylphenyl)-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide (PubChem CID 1438361) has the molecular formula C22H23FN4OS and a molecular weight of 410.52 g/mol. Its IUPAC name is N-(2-ethylphenyl)-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide
PubChem CID1438361
Molecular FormulaC22H23FN4OS
Molecular Weight410.52 g/mol
Exact Mass410.16
IUPAC NameN-(2-ethylphenyl)-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide
SMILESCCc1ccccc1NC(=O)N1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1
InChIInChI=1S/C22H23FN4OS/c1-2-16-5-3-4-6-19(16)24-21(28)26-11-13-27(14-12-26)22-25-20(15-29-22)17-7-9-18(23)10-8-17/h3-10,15H,2,11-14H2,1H3,(H,24,28)
InChIKeyDYSNZVPIIJRYOZ-UHFFFAOYSA-N
XLogP4.87
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-fluorophenyl)-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide
CID 1438372
N-(2-ethylphenyl)-4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperazine-1-carbothioamide
CID 1447493
4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-pyridazin-3-ylpiperazine-1-carboxamide
CID 68778450
N-(2-ethoxyphenyl)-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazine-1-carbothioamide
CID 1447258
1-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 133371083
N-(2,3-dimethylphenyl)-2-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]acetamide
CID 1438331
2-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 1447304
N-benzyl-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazine-1-carbothioamide
CID 1447246
N-benzyl-4-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide
CID 3223682
cyclohexyl-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone
CID 1438379
4-(4-phenyl-1,3-thiazol-2-yl)-N-pyridazin-3-ylpiperazine-1-carboxamide
CID 68779561
1-[4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone
CID 126758633

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide?
The IUPAC name of N-(2-ethylphenyl)-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide (CID 1438361) is N-(2-ethylphenyl)-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide.
What is the SMILES notation for N-(2-ethylphenyl)-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide?
The canonical SMILES for N-(2-ethylphenyl)-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide is CCc1ccccc1NC(=O)N1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1.
What is the InChIKey of N-(2-ethylphenyl)-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide?
The InChIKey is DYSNZVPIIJRYOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4OS/c1-2-16-5-3-4-6-19(16)24-21(28)26-11-13-27(14-12-26)22-25-20(15-29-22)17-7-9-18(23)10-8-17/h3-10,15H,2,11-14H2,1H3,(H,24,28).
What are the key properties of N-(2-ethylphenyl)-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide?
N-(2-ethylphenyl)-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide has a molecular weight of 410.52 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide is sourced from PubChem (CID 1438361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).