2-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-N-(3-fluorophenyl)acetamide

C18H21FN4O2S — CID 9166690

IUPAC2-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-N-(3-fluorophenyl)acetamide
SMILESCc1nc(C)c(C(=O)N2CCN(CC(=O)Nc3cccc(F)c3)CC2)s1
InChIInChI=1S/C18H21FN4O2S/c1-12-17(26-13(2)20-12)18(25)23-8-6-22(7-9-23)11-16(24)21-15-5-3-4-14(19)10-15/h3-5,10H,6-9,11H2,1-2H3,(H,21,24)
InChIKeyIDEMPFLZPZOHML-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.30
Rot. Bonds4

About 2-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-N-(3-fluorophenyl)acetamide

2-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-N-(3-fluorophenyl)acetamide (PubChem CID 9166690) has the molecular formula C18H21FN4O2S and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-N-(3-fluorophenyl)acetamide
PubChem CID9166690
Molecular FormulaC18H21FN4O2S
Molecular Weight376.46 g/mol
Exact Mass376.14
IUPAC Name2-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-N-(3-fluorophenyl)acetamide
SMILESCc1nc(C)c(C(=O)N2CCN(CC(=O)Nc3cccc(F)c3)CC2)s1
InChIInChI=1S/C18H21FN4O2S/c1-12-17(26-13(2)20-12)18(25)23-8-6-22(7-9-23)11-16(24)21-15-5-3-4-14(19)10-15/h3-5,10H,6-9,11H2,1-2H3,(H,21,24)
InChIKeyIDEMPFLZPZOHML-UHFFFAOYSA-N
XLogP2.30
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-N-(3-fluorophenyl)acetamide?
The IUPAC name of 2-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-N-(3-fluorophenyl)acetamide (CID 9166690) is 2-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-N-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-N-(3-fluorophenyl)acetamide is Cc1nc(C)c(C(=O)N2CCN(CC(=O)Nc3cccc(F)c3)CC2)s1.
What is the InChIKey of 2-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-N-(3-fluorophenyl)acetamide?
The InChIKey is IDEMPFLZPZOHML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O2S/c1-12-17(26-13(2)20-12)18(25)23-8-6-22(7-9-23)11-16(24)21-15-5-3-4-14(19)10-15/h3-5,10H,6-9,11H2,1-2H3,(H,21,24).
What are the key properties of 2-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-N-(3-fluorophenyl)acetamide?
2-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-N-(3-fluorophenyl)acetamide has a molecular weight of 376.46 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-N-(3-fluorophenyl)acetamide is sourced from PubChem (CID 9166690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).