2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide

C22H23FN4OS — CID 71840324

IUPAC2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide
SMILESCC(NC(=O)c1csc(N2CCN(c3ccccc3F)CC2)n1)c1ccccc1
InChIInChI=1S/C22H23FN4OS/c1-16(17-7-3-2-4-8-17)24-21(28)19-15-29-22(25-19)27-13-11-26(12-14-27)20-10-6-5-9-18(20)23/h2-10,15-16H,11-14H2,1H3,(H,24,28)
InChIKeyCOWGZHILUADIKT-UHFFFAOYSA-N
MW410.52 g/mol
LogP4.10
Rot. Bonds5

About 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide

2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide (PubChem CID 71840324) has the molecular formula C22H23FN4OS and a molecular weight of 410.52 g/mol. Its IUPAC name is 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide
PubChem CID71840324
Molecular FormulaC22H23FN4OS
Molecular Weight410.52 g/mol
Exact Mass410.16
IUPAC Name2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide
SMILESCC(NC(=O)c1csc(N2CCN(c3ccccc3F)CC2)n1)c1ccccc1
InChIInChI=1S/C22H23FN4OS/c1-16(17-7-3-2-4-8-17)24-21(28)19-15-29-22(25-19)27-13-11-26(12-14-27)20-10-6-5-9-18(20)23/h2-10,15-16H,11-14H2,1H3,(H,24,28)
InChIKeyCOWGZHILUADIKT-UHFFFAOYSA-N
XLogP4.10
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide (CID 71840324) is 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide is CC(NC(=O)c1csc(N2CCN(c3ccccc3F)CC2)n1)c1ccccc1.
What is the InChIKey of 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is COWGZHILUADIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4OS/c1-16(17-7-3-2-4-8-17)24-21(28)19-15-29-22(25-19)27-13-11-26(12-14-27)20-10-6-5-9-18(20)23/h2-10,15-16H,11-14H2,1H3,(H,24,28).
What are the key properties of 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide?
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 410.52 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 71840324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).