N-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-(2-oxopiperazin-1-yl)acetamide

C18H21FN4O2S — CID 167787666

IUPACN-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-(2-oxopiperazin-1-yl)acetamide
SMILESCc1nc(-c2ccc(F)cc2)sc1C(C)NC(=O)CN1CCNCC1=O
InChIInChI=1S/C18H21FN4O2S/c1-11(21-15(24)10-23-8-7-20-9-16(23)25)17-12(2)22-18(26-17)13-3-5-14(19)6-4-13/h3-6,11,20H,7-10H2,1-2H3,(H,21,24)
InChIKeyZCFURWMFNVZGDR-UHFFFAOYSA-N
MW376.46 g/mol
LogP1.87
Rot. Bonds5

About N-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-(2-oxopiperazin-1-yl)acetamide

N-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-(2-oxopiperazin-1-yl)acetamide (PubChem CID 167787666) has the molecular formula C18H21FN4O2S and a molecular weight of 376.46 g/mol. Its IUPAC name is N-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-(2-oxopiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-(2-oxopiperazin-1-yl)acetamide
PubChem CID167787666
Molecular FormulaC18H21FN4O2S
Molecular Weight376.46 g/mol
Exact Mass376.14
IUPAC NameN-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-(2-oxopiperazin-1-yl)acetamide
SMILESCc1nc(-c2ccc(F)cc2)sc1C(C)NC(=O)CN1CCNCC1=O
InChIInChI=1S/C18H21FN4O2S/c1-11(21-15(24)10-23-8-7-20-9-16(23)25)17-12(2)22-18(26-17)13-3-5-14(19)6-4-13/h3-6,11,20H,7-10H2,1-2H3,(H,21,24)
InChIKeyZCFURWMFNVZGDR-UHFFFAOYSA-N
XLogP1.87
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-(2-oxopiperazin-1-yl)acetamide?
The IUPAC name of N-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-(2-oxopiperazin-1-yl)acetamide (CID 167787666) is N-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-(2-oxopiperazin-1-yl)acetamide.
What is the SMILES notation for N-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-(2-oxopiperazin-1-yl)acetamide?
The canonical SMILES for N-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-(2-oxopiperazin-1-yl)acetamide is Cc1nc(-c2ccc(F)cc2)sc1C(C)NC(=O)CN1CCNCC1=O.
What is the InChIKey of N-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-(2-oxopiperazin-1-yl)acetamide?
The InChIKey is ZCFURWMFNVZGDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O2S/c1-11(21-15(24)10-23-8-7-20-9-16(23)25)17-12(2)22-18(26-17)13-3-5-14(19)6-4-13/h3-6,11,20H,7-10H2,1-2H3,(H,21,24).
What are the key properties of N-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-(2-oxopiperazin-1-yl)acetamide?
N-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-(2-oxopiperazin-1-yl)acetamide has a molecular weight of 376.46 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-(2-oxopiperazin-1-yl)acetamide is sourced from PubChem (CID 167787666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).