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

C16H19FN4OS — CID 53161144

IUPAC2-[4-(4-fluorophenyl)piperazin-1-yl]-N,N-dimethyl-1,3-thiazole-4-carboxamide
SMILESCN(C)C(=O)c1csc(N2CCN(c3ccc(F)cc3)CC2)n1
InChIInChI=1S/C16H19FN4OS/c1-19(2)15(22)14-11-23-16(18-14)21-9-7-20(8-10-21)13-5-3-12(17)4-6-13/h3-6,11H,7-10H2,1-2H3
InChIKeySOUOEJMWZQAUDL-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.31
Rot. Bonds3

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

2-[4-(4-fluorophenyl)piperazin-1-yl]-N,N-dimethyl-1,3-thiazole-4-carboxamide (PubChem CID 53161144) has the molecular formula C16H19FN4OS and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)piperazin-1-yl]-N,N-dimethyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)piperazin-1-yl]-N,N-dimethyl-1,3-thiazole-4-carboxamide
PubChem CID53161144
Molecular FormulaC16H19FN4OS
Molecular Weight334.42 g/mol
Exact Mass334.13
IUPAC Name2-[4-(4-fluorophenyl)piperazin-1-yl]-N,N-dimethyl-1,3-thiazole-4-carboxamide
SMILESCN(C)C(=O)c1csc(N2CCN(c3ccc(F)cc3)CC2)n1
InChIInChI=1S/C16H19FN4OS/c1-19(2)15(22)14-11-23-16(18-14)21-9-7-20(8-10-21)13-5-3-12(17)4-6-13/h3-6,11H,7-10H2,1-2H3
InChIKeySOUOEJMWZQAUDL-UHFFFAOYSA-N
XLogP2.31
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-yl]-N,N-dimethyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-yl]-N,N-dimethyl-1,3-thiazole-4-carboxamide (CID 53161144) is 2-[4-(4-fluorophenyl)piperazin-1-yl]-N,N-dimethyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[4-(4-fluorophenyl)piperazin-1-yl]-N,N-dimethyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[4-(4-fluorophenyl)piperazin-1-yl]-N,N-dimethyl-1,3-thiazole-4-carboxamide is CN(C)C(=O)c1csc(N2CCN(c3ccc(F)cc3)CC2)n1.
What is the InChIKey of 2-[4-(4-fluorophenyl)piperazin-1-yl]-N,N-dimethyl-1,3-thiazole-4-carboxamide?
The InChIKey is SOUOEJMWZQAUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4OS/c1-19(2)15(22)14-11-23-16(18-14)21-9-7-20(8-10-21)13-5-3-12(17)4-6-13/h3-6,11H,7-10H2,1-2H3.
What are the key properties of 2-[4-(4-fluorophenyl)piperazin-1-yl]-N,N-dimethyl-1,3-thiazole-4-carboxamide?
2-[4-(4-fluorophenyl)piperazin-1-yl]-N,N-dimethyl-1,3-thiazole-4-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)piperazin-1-yl]-N,N-dimethyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 53161144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).