4-[2-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one

C18H16FN5O2S — CID 126789765

IUPAC4-[2-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one
SMILESCn1cc(N2CCN(C(=O)c3csc(-c4ccc(F)cc4)n3)CC2=O)cn1
InChIInChI=1S/C18H16FN5O2S/c1-22-9-14(8-20-22)24-7-6-23(10-16(24)25)18(26)15-11-27-17(21-15)12-2-4-13(19)5-3-12/h2-5,8-9,11H,6-7,10H2,1H3
InChIKeyMQAANDAZHXZNGR-UHFFFAOYSA-N
MW385.42 g/mol
LogP2.17
Rot. Bonds3

About 4-[2-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one

4-[2-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one (PubChem CID 126789765) has the molecular formula C18H16FN5O2S and a molecular weight of 385.42 g/mol. Its IUPAC name is 4-[2-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one.

Molecular Properties

Compound Name4-[2-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one
PubChem CID126789765
Molecular FormulaC18H16FN5O2S
Molecular Weight385.42 g/mol
Exact Mass385.10
IUPAC Name4-[2-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one
SMILESCn1cc(N2CCN(C(=O)c3csc(-c4ccc(F)cc4)n3)CC2=O)cn1
InChIInChI=1S/C18H16FN5O2S/c1-22-9-14(8-20-22)24-7-6-23(10-16(24)25)18(26)15-11-27-17(21-15)12-2-4-13(19)5-3-12/h2-5,8-9,11H,6-7,10H2,1H3
InChIKeyMQAANDAZHXZNGR-UHFFFAOYSA-N
XLogP2.17
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-(4-methoxyphenyl)-1,3-thiazole-4-carbonyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one
CID 126791529
1-(1-methylpyrazol-4-yl)-4-(2-pyridin-4-yl-1,3-thiazole-5-carbonyl)piperazin-2-one
CID 99818804
N'-methyl-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide
CID 109433329
N'-methyl-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide;hydroiodide
CID 109433328
2,2-dimethyl-1-[4-[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]propan-1-one
CID 55792143
[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methanone
CID 26766188
1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethanone
CID 64542603
azepan-1-yl-[1-[2-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]methanone
CID 17392352
[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 111434177
N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-N'-methyl-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide
CID 109433137
1-(1-methylpyrazol-4-yl)-4-(5-methyl-1,3,4-thiadiazole-2-carbonyl)piperazin-2-one
CID 127850919
[4-(2-chlorophenyl)piperazin-1-yl]-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methanone
CID 25356068

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one?
The IUPAC name of 4-[2-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one (CID 126789765) is 4-[2-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one.
What is the SMILES notation for 4-[2-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one?
The canonical SMILES for 4-[2-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one is Cn1cc(N2CCN(C(=O)c3csc(-c4ccc(F)cc4)n3)CC2=O)cn1.
What is the InChIKey of 4-[2-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one?
The InChIKey is MQAANDAZHXZNGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN5O2S/c1-22-9-14(8-20-22)24-7-6-23(10-16(24)25)18(26)15-11-27-17(21-15)12-2-4-13(19)5-3-12/h2-5,8-9,11H,6-7,10H2,1H3.
What are the key properties of 4-[2-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one?
4-[2-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one has a molecular weight of 385.42 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one is sourced from PubChem (CID 126789765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).