3-[2-[[4-(3-chloro-2-fluorobenzoyl)piperazin-1-yl]methyl]-6-(1,3-thiazol-2-ylamino)-4-pyridinyl]-1,3-oxazolidin-2-one

C23H22ClFN6O3S — CID 87538169

IUPAC3-[2-[[4-(3-chloro-2-fluorobenzoyl)piperazin-1-yl]methyl]-6-(1,3-thiazol-2-ylamino)-4-pyridinyl]-1,3-oxazolidin-2-one
SMILESO=C(c1cccc(Cl)c1F)N1CCN(Cc2cc(N3CCOC3=O)cc(Nc3nccs3)n2)CC1
InChIInChI=1S/C23H22ClFN6O3S/c24-18-3-1-2-17(20(18)25)21(32)30-7-5-29(6-8-30)14-15-12-16(31-9-10-34-23(31)33)13-19(27-15)28-22-26-4-11-35-22/h1-4,11-13H,5-10,14H2,(H,26,27,28)
InChIKeyRFABKWGGPJLPLC-UHFFFAOYSA-N
MW516.99 g/mol
LogP3.99
Rot. Bonds6

About 3-[2-[[4-(3-chloro-2-fluorobenzoyl)piperazin-1-yl]methyl]-6-(1,3-thiazol-2-ylamino)-4-pyridinyl]-1,3-oxazolidin-2-one

3-[2-[[4-(3-chloro-2-fluorobenzoyl)piperazin-1-yl]methyl]-6-(1,3-thiazol-2-ylamino)-4-pyridinyl]-1,3-oxazolidin-2-one (PubChem CID 87538169) has the molecular formula C23H22ClFN6O3S and a molecular weight of 516.99 g/mol. Its IUPAC name is 3-[2-[[4-(3-chloro-2-fluorobenzoyl)piperazin-1-yl]methyl]-6-(1,3-thiazol-2-ylamino)-4-pyridinyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-[[4-(3-chloro-2-fluorobenzoyl)piperazin-1-yl]methyl]-6-(1,3-thiazol-2-ylamino)-4-pyridinyl]-1,3-oxazolidin-2-one
PubChem CID87538169
Molecular FormulaC23H22ClFN6O3S
Molecular Weight516.99 g/mol
Exact Mass516.11
IUPAC Name3-[2-[[4-(3-chloro-2-fluorobenzoyl)piperazin-1-yl]methyl]-6-(1,3-thiazol-2-ylamino)-4-pyridinyl]-1,3-oxazolidin-2-one
SMILESO=C(c1cccc(Cl)c1F)N1CCN(Cc2cc(N3CCOC3=O)cc(Nc3nccs3)n2)CC1
InChIInChI=1S/C23H22ClFN6O3S/c24-18-3-1-2-17(20(18)25)21(32)30-7-5-29(6-8-30)14-15-12-16(31-9-10-34-23(31)33)13-19(27-15)28-22-26-4-11-35-22/h1-4,11-13H,5-10,14H2,(H,26,27,28)
InChIKeyRFABKWGGPJLPLC-UHFFFAOYSA-N
XLogP3.99
TPSA90.90 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.99
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-[2-[[4-(3-chloro-2-fluorobenzoyl)piperazin-1-yl]methyl]-6-(1,3-thiazol-2-ylamino)-4-pyridinyl]-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[4-(3-chloro-2-fluorobenzoyl)piperazin-1-yl]methyl]-6-(1,3-thiazol-2-ylamino)-4-pyridinyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-[[4-(3-chloro-2-fluorobenzoyl)piperazin-1-yl]methyl]-6-(1,3-thiazol-2-ylamino)-4-pyridinyl]-1,3-oxazolidin-2-one (CID 87538169) is 3-[2-[[4-(3-chloro-2-fluorobenzoyl)piperazin-1-yl]methyl]-6-(1,3-thiazol-2-ylamino)-4-pyridinyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-[[4-(3-chloro-2-fluorobenzoyl)piperazin-1-yl]methyl]-6-(1,3-thiazol-2-ylamino)-4-pyridinyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-[[4-(3-chloro-2-fluorobenzoyl)piperazin-1-yl]methyl]-6-(1,3-thiazol-2-ylamino)-4-pyridinyl]-1,3-oxazolidin-2-one is O=C(c1cccc(Cl)c1F)N1CCN(Cc2cc(N3CCOC3=O)cc(Nc3nccs3)n2)CC1.
What is the InChIKey of 3-[2-[[4-(3-chloro-2-fluorobenzoyl)piperazin-1-yl]methyl]-6-(1,3-thiazol-2-ylamino)-4-pyridinyl]-1,3-oxazolidin-2-one?
The InChIKey is RFABKWGGPJLPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClFN6O3S/c24-18-3-1-2-17(20(18)25)21(32)30-7-5-29(6-8-30)14-15-12-16(31-9-10-34-23(31)33)13-19(27-15)28-22-26-4-11-35-22/h1-4,11-13H,5-10,14H2,(H,26,27,28).
What are the key properties of 3-[2-[[4-(3-chloro-2-fluorobenzoyl)piperazin-1-yl]methyl]-6-(1,3-thiazol-2-ylamino)-4-pyridinyl]-1,3-oxazolidin-2-one?
3-[2-[[4-(3-chloro-2-fluorobenzoyl)piperazin-1-yl]methyl]-6-(1,3-thiazol-2-ylamino)-4-pyridinyl]-1,3-oxazolidin-2-one has a molecular weight of 516.99 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[4-(3-chloro-2-fluorobenzoyl)piperazin-1-yl]methyl]-6-(1,3-thiazol-2-ylamino)-4-pyridinyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 87538169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).