4-[[4-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]phenyl]methyl]-1,3-oxazolidin-2-one

C19H16BrN3O2S — CID 171355477

IUPAC4-[[4-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]phenyl]methyl]-1,3-oxazolidin-2-one
SMILESO=C1NC(Cc2ccc(Nc3nc(-c4ccc(Br)cc4)cs3)cc2)CO1
InChIInChI=1S/C19H16BrN3O2S/c20-14-5-3-13(4-6-14)17-11-26-18(23-17)21-15-7-1-12(2-8-15)9-16-10-25-19(24)22-16/h1-8,11,16H,9-10H2,(H,21,23)(H,22,24)
InChIKeyKGLPINVGUOGBDF-UHFFFAOYSA-N
MW430.33 g/mol
LogP4.97
Rot. Bonds5

About 4-[[4-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]phenyl]methyl]-1,3-oxazolidin-2-one

4-[[4-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]phenyl]methyl]-1,3-oxazolidin-2-one (PubChem CID 171355477) has the molecular formula C19H16BrN3O2S and a molecular weight of 430.33 g/mol. Its IUPAC name is 4-[[4-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]phenyl]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-[[4-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]phenyl]methyl]-1,3-oxazolidin-2-one
PubChem CID171355477
Molecular FormulaC19H16BrN3O2S
Molecular Weight430.33 g/mol
Exact Mass429.01
IUPAC Name4-[[4-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]phenyl]methyl]-1,3-oxazolidin-2-one
SMILESO=C1NC(Cc2ccc(Nc3nc(-c4ccc(Br)cc4)cs3)cc2)CO1
InChIInChI=1S/C19H16BrN3O2S/c20-14-5-3-13(4-6-14)17-11-26-18(23-17)21-15-7-1-12(2-8-15)9-16-10-25-19(24)22-16/h1-8,11,16H,9-10H2,(H,21,23)(H,22,24)
InChIKeyKGLPINVGUOGBDF-UHFFFAOYSA-N
XLogP4.97
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.33
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[4-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]phenyl]methyl]-1,3-oxazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]phenyl]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 4-[[4-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]phenyl]methyl]-1,3-oxazolidin-2-one (CID 171355477) is 4-[[4-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]phenyl]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-[[4-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]phenyl]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4-[[4-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]phenyl]methyl]-1,3-oxazolidin-2-one is O=C1NC(Cc2ccc(Nc3nc(-c4ccc(Br)cc4)cs3)cc2)CO1.
What is the InChIKey of 4-[[4-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]phenyl]methyl]-1,3-oxazolidin-2-one?
The InChIKey is KGLPINVGUOGBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrN3O2S/c20-14-5-3-13(4-6-14)17-11-26-18(23-17)21-15-7-1-12(2-8-15)9-16-10-25-19(24)22-16/h1-8,11,16H,9-10H2,(H,21,23)(H,22,24).
What are the key properties of 4-[[4-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]phenyl]methyl]-1,3-oxazolidin-2-one?
4-[[4-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]phenyl]methyl]-1,3-oxazolidin-2-one has a molecular weight of 430.33 g/mol, XLogP of 4.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]phenyl]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 171355477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).