N-[[(5S)-3-[3-fluoro-4-(imidazo[2,1-b][1,3]thiazole-5-carbonyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C18H15FN4O4S — CID 18713367

IUPACN-[[(5S)-3-[3-fluoro-4-(imidazo[2,1-b][1,3]thiazole-5-carbonyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(C(=O)c3cnc4sccn34)c(F)c2)C(=O)O1
InChIInChI=1S/C18H15FN4O4S/c1-10(24)20-7-12-9-23(18(26)27-12)11-2-3-13(14(19)6-11)16(25)15-8-21-17-22(15)4-5-28-17/h2-6,8,12H,7,9H2,1H3,(H,20,24)/t12-/m0/s1
InChIKeyZLRPBEYIWZEOOO-LBPRGKRZSA-N
MW402.41 g/mol
LogP2.23
Rot. Bonds5

About N-[[(5S)-3-[3-fluoro-4-(imidazo[2,1-b][1,3]thiazole-5-carbonyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-[3-fluoro-4-(imidazo[2,1-b][1,3]thiazole-5-carbonyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 18713367) has the molecular formula C18H15FN4O4S and a molecular weight of 402.41 g/mol. Its IUPAC name is N-[[(5S)-3-[3-fluoro-4-(imidazo[2,1-b][1,3]thiazole-5-carbonyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[3-fluoro-4-(imidazo[2,1-b][1,3]thiazole-5-carbonyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID18713367
Molecular FormulaC18H15FN4O4S
Molecular Weight402.41 g/mol
Exact Mass402.08
IUPAC NameN-[[(5S)-3-[3-fluoro-4-(imidazo[2,1-b][1,3]thiazole-5-carbonyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(C(=O)c3cnc4sccn34)c(F)c2)C(=O)O1
InChIInChI=1S/C18H15FN4O4S/c1-10(24)20-7-12-9-23(18(26)27-12)11-2-3-13(14(19)6-11)16(25)15-8-21-17-22(15)4-5-28-17/h2-6,8,12H,7,9H2,1H3,(H,20,24)/t12-/m0/s1
InChIKeyZLRPBEYIWZEOOO-LBPRGKRZSA-N
XLogP2.23
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.41
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[3-fluoro-4-(imidazo[2,1-b][1,3]thiazole-5-carbonyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[3-fluoro-4-(imidazo[2,1-b][1,3]thiazole-5-carbonyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 18713367) is N-[[(5S)-3-[3-fluoro-4-(imidazo[2,1-b][1,3]thiazole-5-carbonyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[3-fluoro-4-(imidazo[2,1-b][1,3]thiazole-5-carbonyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[3-fluoro-4-(imidazo[2,1-b][1,3]thiazole-5-carbonyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(C(=O)c3cnc4sccn34)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[3-fluoro-4-(imidazo[2,1-b][1,3]thiazole-5-carbonyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is ZLRPBEYIWZEOOO-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H15FN4O4S/c1-10(24)20-7-12-9-23(18(26)27-12)11-2-3-13(14(19)6-11)16(25)15-8-21-17-22(15)4-5-28-17/h2-6,8,12H,7,9H2,1H3,(H,20,24)/t12-/m0/s1.
What are the key properties of N-[[(5S)-3-[3-fluoro-4-(imidazo[2,1-b][1,3]thiazole-5-carbonyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[3-fluoro-4-(imidazo[2,1-b][1,3]thiazole-5-carbonyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 402.41 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[3-fluoro-4-(imidazo[2,1-b][1,3]thiazole-5-carbonyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 18713367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).