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

C22H23FN4O2S — CID 1438371

IUPACN-(2-ethoxyphenyl)-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide
SMILESCCOc1ccccc1NC(=O)N1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1
InChIInChI=1S/C22H23FN4O2S/c1-2-29-20-6-4-3-5-18(20)24-21(28)26-11-13-27(14-12-26)22-25-19(15-30-22)16-7-9-17(23)10-8-16/h3-10,15H,2,11-14H2,1H3,(H,24,28)
InChIKeyWAOVJOVXNHZUKN-UHFFFAOYSA-N
MW426.52 g/mol
LogP4.70
Rot. Bonds5

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

N-(2-ethoxyphenyl)-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide (PubChem CID 1438371) has the molecular formula C22H23FN4O2S and a molecular weight of 426.52 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide
PubChem CID1438371
Molecular FormulaC22H23FN4O2S
Molecular Weight426.52 g/mol
Exact Mass426.15
IUPAC NameN-(2-ethoxyphenyl)-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide
SMILESCCOc1ccccc1NC(=O)N1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1
InChIInChI=1S/C22H23FN4O2S/c1-2-29-20-6-4-3-5-18(20)24-21(28)26-11-13-27(14-12-26)22-25-19(15-30-22)16-7-9-17(23)10-8-16/h3-10,15H,2,11-14H2,1H3,(H,24,28)
InChIKeyWAOVJOVXNHZUKN-UHFFFAOYSA-N
XLogP4.70
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide?
The IUPAC name of N-(2-ethoxyphenyl)-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide (CID 1438371) is N-(2-ethoxyphenyl)-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide?
The canonical SMILES for N-(2-ethoxyphenyl)-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide is CCOc1ccccc1NC(=O)N1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1.
What is the InChIKey of N-(2-ethoxyphenyl)-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide?
The InChIKey is WAOVJOVXNHZUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O2S/c1-2-29-20-6-4-3-5-18(20)24-21(28)26-11-13-27(14-12-26)22-25-19(15-30-22)16-7-9-17(23)10-8-16/h3-10,15H,2,11-14H2,1H3,(H,24,28).
What are the key properties of N-(2-ethoxyphenyl)-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide?
N-(2-ethoxyphenyl)-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide has a molecular weight of 426.52 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide is sourced from PubChem (CID 1438371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).