4-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)piperazine-1-carboxamide

C19H19F2N5O2S — CID 71718165

IUPAC4-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)piperazine-1-carboxamide
SMILESCc1onc(NC(=O)N2CCN(c3nc(-c4ccc(F)cc4F)cs3)CC2)c1C
InChIInChI=1S/C19H19F2N5O2S/c1-11-12(2)28-24-17(11)23-18(27)25-5-7-26(8-6-25)19-22-16(10-29-19)14-4-3-13(20)9-15(14)21/h3-4,9-10H,5-8H2,1-2H3,(H,23,24,27)
InChIKeyMOGCJIDLSGDETB-UHFFFAOYSA-N
MW419.46 g/mol
LogP4.05
Rot. Bonds3

About 4-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)piperazine-1-carboxamide

4-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)piperazine-1-carboxamide (PubChem CID 71718165) has the molecular formula C19H19F2N5O2S and a molecular weight of 419.46 g/mol. Its IUPAC name is 4-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)piperazine-1-carboxamide
PubChem CID71718165
Molecular FormulaC19H19F2N5O2S
Molecular Weight419.46 g/mol
Exact Mass419.12
IUPAC Name4-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)piperazine-1-carboxamide
SMILESCc1onc(NC(=O)N2CCN(c3nc(-c4ccc(F)cc4F)cs3)CC2)c1C
InChIInChI=1S/C19H19F2N5O2S/c1-11-12(2)28-24-17(11)23-18(27)25-5-7-26(8-6-25)19-22-16(10-29-19)14-4-3-13(20)9-15(14)21/h3-4,9-10H,5-8H2,1-2H3,(H,23,24,27)
InChIKeyMOGCJIDLSGDETB-UHFFFAOYSA-N
XLogP4.05
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)piperazine-1-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(4,5-dimethyl-1,2-oxazol-3-yl)-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide
CID 71716325
N-(4,5-dimethyl-1,2-oxazol-3-yl)-4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 71716928
N-(4,5-dimethyl-1,2-oxazol-3-yl)-4-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide
CID 71716929
N-(4,5-dimethyl-1,2-oxazol-3-yl)-4-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]piperazine-1-carboxamide
CID 71718770
N-(5-methyl-1,2-oxazol-3-yl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 1235819
2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2591156
3-[[5-(3-fluoro-4-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]carbamoylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 24855584
N-(4,5-dimethyl-1,2-oxazol-3-yl)-4-[3-(2-fluorophenyl)-1,2,4-thiadiazol-5-yl]piperazine-1-carboxamide
CID 71718769
N-(4,5-dimethyl-1,2-oxazol-3-yl)-4-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide
CID 71719370
N-(4,5-dimethyl-1,2-oxazol-3-yl)-4-[3-(3-fluorophenyl)-1,2,4-thiadiazol-5-yl]piperazine-1-carboxamide
CID 71719967
1-(5-Ethyl-1,2-oxazol-3-yl)-3-[4-[2-[[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]amino]-1,3-thiazol-4-yl]phenyl]urea
CID 155513236
1-(5-Ethyl-1,2-oxazol-3-yl)-3-[4-[2-[[6-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]amino]-4-methyl-1,3-thiazol-5-yl]phenyl]urea
CID 155526493

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)piperazine-1-carboxamide?
The IUPAC name of 4-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)piperazine-1-carboxamide (CID 71718165) is 4-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)piperazine-1-carboxamide is Cc1onc(NC(=O)N2CCN(c3nc(-c4ccc(F)cc4F)cs3)CC2)c1C.
What is the InChIKey of 4-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)piperazine-1-carboxamide?
The InChIKey is MOGCJIDLSGDETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N5O2S/c1-11-12(2)28-24-17(11)23-18(27)25-5-7-26(8-6-25)19-22-16(10-29-19)14-4-3-13(20)9-15(14)21/h3-4,9-10H,5-8H2,1-2H3,(H,23,24,27).
What are the key properties of 4-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)piperazine-1-carboxamide?
4-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)piperazine-1-carboxamide has a molecular weight of 419.46 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)piperazine-1-carboxamide is sourced from PubChem (CID 71718165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).