3-[4-[4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]-3-fluorophenyl]-5-(methylaminomethyl)-1,3-oxazolidin-2-one

C19H23FN6O3S — CID 145237995

IUPAC3-[4-[4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]-3-fluorophenyl]-5-(methylaminomethyl)-1,3-oxazolidin-2-one
SMILESCNCC1CN(c2ccc(N3CCN(C(=O)c4csc(N)n4)CC3)c(F)c2)C(=O)O1
InChIInChI=1S/C19H23FN6O3S/c1-22-9-13-10-26(19(28)29-13)12-2-3-16(14(20)8-12)24-4-6-25(7-5-24)17(27)15-11-30-18(21)23-15/h2-3,8,11,13,22H,4-7,9-10H2,1H3,(H2,21,23)
InChIKeyRCPSFFAXCNBCRB-UHFFFAOYSA-N
MW434.50 g/mol
LogP1.37
Rot. Bonds5

About 3-[4-[4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]-3-fluorophenyl]-5-(methylaminomethyl)-1,3-oxazolidin-2-one

3-[4-[4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]-3-fluorophenyl]-5-(methylaminomethyl)-1,3-oxazolidin-2-one (PubChem CID 145237995) has the molecular formula C19H23FN6O3S and a molecular weight of 434.50 g/mol. Its IUPAC name is 3-[4-[4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]-3-fluorophenyl]-5-(methylaminomethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[4-[4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]-3-fluorophenyl]-5-(methylaminomethyl)-1,3-oxazolidin-2-one
PubChem CID145237995
Molecular FormulaC19H23FN6O3S
Molecular Weight434.50 g/mol
Exact Mass434.15
IUPAC Name3-[4-[4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]-3-fluorophenyl]-5-(methylaminomethyl)-1,3-oxazolidin-2-one
SMILESCNCC1CN(c2ccc(N3CCN(C(=O)c4csc(N)n4)CC3)c(F)c2)C(=O)O1
InChIInChI=1S/C19H23FN6O3S/c1-22-9-13-10-26(19(28)29-13)12-2-3-16(14(20)8-12)24-4-6-25(7-5-24)17(27)15-11-30-18(21)23-15/h2-3,8,11,13,22H,4-7,9-10H2,1H3,(H2,21,23)
InChIKeyRCPSFFAXCNBCRB-UHFFFAOYSA-N
XLogP1.37
TPSA104.03 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[[(5S)-3-[3-fluoro-4-[4-(pyrazine-2-carbonyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 58862063
N-[[(5S)-3-[3-fluoro-4-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 58862068
N-[[(5S)-3-[4-[4-(3-chlorothiophene-2-carbonyl)piperazin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 58862053
5-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazine-1-carbonyl]-1,2-oxazole-3-carboxamide
CID 15541044
3-[3-fluoro-4-[4-[2-(methylamino)acetyl]piperazin-1-yl]phenyl]-5-[(1-methoxyethenylamino)methyl]-1,3-oxazolidin-2-one
CID 143999520
[3-[4-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylcarbamothioic S-acid
CID 87521160
N-[[(5S)-3-[4-[4-(2-aminoethanethioyl)piperazin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide
CID 10049961
N-[[3-[4-[4-(2-aminosulfanylacetyl)piperazin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide
CID 87832819
ethyl 4-[2-fluoro-4-[2-oxo-5-[(propanethioylamino)methyl]-1,3-oxazolidin-3-yl]phenyl]piperazine-1-carboxylate
CID 22140974
S-methyl N-[[(5S)-3-[4-[4-(4-chlorobenzoyl)piperazin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamothioate
CID 86645375
N-[[(5S)-3-[3-fluoro-4-[4-(5-nitrothiophene-2-carbonyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10230087
N-[[(5S)-3-[4-[4-(2-aminopropanethioyl)piperazin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10251719

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]-3-fluorophenyl]-5-(methylaminomethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-[4-[4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]-3-fluorophenyl]-5-(methylaminomethyl)-1,3-oxazolidin-2-one (CID 145237995) is 3-[4-[4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]-3-fluorophenyl]-5-(methylaminomethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[4-[4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]-3-fluorophenyl]-5-(methylaminomethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[4-[4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]-3-fluorophenyl]-5-(methylaminomethyl)-1,3-oxazolidin-2-one is CNCC1CN(c2ccc(N3CCN(C(=O)c4csc(N)n4)CC3)c(F)c2)C(=O)O1.
What is the InChIKey of 3-[4-[4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]-3-fluorophenyl]-5-(methylaminomethyl)-1,3-oxazolidin-2-one?
The InChIKey is RCPSFFAXCNBCRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN6O3S/c1-22-9-13-10-26(19(28)29-13)12-2-3-16(14(20)8-12)24-4-6-25(7-5-24)17(27)15-11-30-18(21)23-15/h2-3,8,11,13,22H,4-7,9-10H2,1H3,(H2,21,23).
What are the key properties of 3-[4-[4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]-3-fluorophenyl]-5-(methylaminomethyl)-1,3-oxazolidin-2-one?
3-[4-[4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]-3-fluorophenyl]-5-(methylaminomethyl)-1,3-oxazolidin-2-one has a molecular weight of 434.50 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]-3-fluorophenyl]-5-(methylaminomethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 145237995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).