1-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)ethanone

C24H22N4O3S2 — CID 55972076

IUPAC1-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)ethanone
SMILESCc1cc(C(=O)N2CCN(C(=O)Cc3sc(-c4ccccc4)nc3-c3cccs3)CC2)on1
InChIInChI=1S/C24H22N4O3S2/c1-16-14-18(31-26-16)24(30)28-11-9-27(10-12-28)21(29)15-20-22(19-8-5-13-32-19)25-23(33-20)17-6-3-2-4-7-17/h2-8,13-14H,9-12,15H2,1H3
InChIKeyXIIBLQMGCRVYIK-UHFFFAOYSA-N
MW478.60 g/mol
LogP4.36
Rot. Bonds5

About 1-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)ethanone

1-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)ethanone (PubChem CID 55972076) has the molecular formula C24H22N4O3S2 and a molecular weight of 478.60 g/mol. Its IUPAC name is 1-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)ethanone.

Molecular Properties

Compound Name1-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)ethanone
PubChem CID55972076
Molecular FormulaC24H22N4O3S2
Molecular Weight478.60 g/mol
Exact Mass478.11
IUPAC Name1-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)ethanone
SMILESCc1cc(C(=O)N2CCN(C(=O)Cc3sc(-c4ccccc4)nc3-c3cccs3)CC2)on1
InChIInChI=1S/C24H22N4O3S2/c1-16-14-18(31-26-16)24(30)28-11-9-27(10-12-28)21(29)15-20-22(19-8-5-13-32-19)25-23(33-20)17-6-3-2-4-7-17/h2-8,13-14H,9-12,15H2,1H3
InChIKeyXIIBLQMGCRVYIK-UHFFFAOYSA-N
XLogP4.36
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.60
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 2499665
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)ethanone
CID 119485358
tert-butyl N-[1-[2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetyl]piperidin-4-yl]carbamate
CID 55972662
(E)-3-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)-1-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]prop-2-en-1-one
CID 55972978
(3-methyl-1,2-oxazol-5-yl)-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 37250144
2-oxopropyl 2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetate
CID 7998369
2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1-piperidin-1-ylethanone
CID 110328829
(3-methyl-1,2-oxazol-5-yl)-(4-methylpiperazin-1-yl)methanone
CID 20868333
ethyl 2-[[2-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]acetyl]amino]-4-thiophen-2-ylthiophene-3-carboxylate
CID 55838479
[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methanone
CID 134063621
(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)methanamine
CID 28709445
2-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-1-(4-methylpiperidin-1-yl)ethanone
CID 28714175

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)ethanone?
The IUPAC name of 1-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)ethanone (CID 55972076) is 1-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)ethanone.
What is the SMILES notation for 1-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)ethanone?
The canonical SMILES for 1-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)ethanone is Cc1cc(C(=O)N2CCN(C(=O)Cc3sc(-c4ccccc4)nc3-c3cccs3)CC2)on1.
What is the InChIKey of 1-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)ethanone?
The InChIKey is XIIBLQMGCRVYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3S2/c1-16-14-18(31-26-16)24(30)28-11-9-27(10-12-28)21(29)15-20-22(19-8-5-13-32-19)25-23(33-20)17-6-3-2-4-7-17/h2-8,13-14H,9-12,15H2,1H3.
What are the key properties of 1-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)ethanone?
1-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)ethanone has a molecular weight of 478.60 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)ethanone is sourced from PubChem (CID 55972076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).