2-[[2-chloro-4-(4,5-dihydro-1,3-thiazol-2-ylamino)phenyl]methyl]-4,4-dimethyl-1,2-oxazolidin-3-one

C15H18ClN3O2S — CID 56689343

IUPAC2-[[2-chloro-4-(4,5-dihydro-1,3-thiazol-2-ylamino)phenyl]methyl]-4,4-dimethyl-1,2-oxazolidin-3-one
SMILESCC1(C)CON(Cc2ccc(NC3=NCCS3)cc2Cl)C1=O
InChIInChI=1S/C15H18ClN3O2S/c1-15(2)9-21-19(13(15)20)8-10-3-4-11(7-12(10)16)18-14-17-5-6-22-14/h3-4,7H,5-6,8-9H2,1-2H3,(H,17,18)
InChIKeyUQDIQVLJSVVELK-UHFFFAOYSA-N
MW339.85 g/mol
LogP3.15
Rot. Bonds3

About 2-[[2-chloro-4-(4,5-dihydro-1,3-thiazol-2-ylamino)phenyl]methyl]-4,4-dimethyl-1,2-oxazolidin-3-one

2-[[2-chloro-4-(4,5-dihydro-1,3-thiazol-2-ylamino)phenyl]methyl]-4,4-dimethyl-1,2-oxazolidin-3-one (PubChem CID 56689343) has the molecular formula C15H18ClN3O2S and a molecular weight of 339.85 g/mol. Its IUPAC name is 2-[[2-chloro-4-(4,5-dihydro-1,3-thiazol-2-ylamino)phenyl]methyl]-4,4-dimethyl-1,2-oxazolidin-3-one.

Molecular Properties

Compound Name2-[[2-chloro-4-(4,5-dihydro-1,3-thiazol-2-ylamino)phenyl]methyl]-4,4-dimethyl-1,2-oxazolidin-3-one
PubChem CID56689343
Molecular FormulaC15H18ClN3O2S
Molecular Weight339.85 g/mol
Exact Mass339.08
IUPAC Name2-[[2-chloro-4-(4,5-dihydro-1,3-thiazol-2-ylamino)phenyl]methyl]-4,4-dimethyl-1,2-oxazolidin-3-one
SMILESCC1(C)CON(Cc2ccc(NC3=NCCS3)cc2Cl)C1=O
InChIInChI=1S/C15H18ClN3O2S/c1-15(2)9-21-19(13(15)20)8-10-3-4-11(7-12(10)16)18-14-17-5-6-22-14/h3-4,7H,5-6,8-9H2,1-2H3,(H,17,18)
InChIKeyUQDIQVLJSVVELK-UHFFFAOYSA-N
XLogP3.15
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.85
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-chloro-4-(4,5-dihydro-1,3-thiazol-2-ylamino)phenyl]methyl]-4,4-dimethyl-1,2-oxazolidin-3-one?
The IUPAC name of 2-[[2-chloro-4-(4,5-dihydro-1,3-thiazol-2-ylamino)phenyl]methyl]-4,4-dimethyl-1,2-oxazolidin-3-one (CID 56689343) is 2-[[2-chloro-4-(4,5-dihydro-1,3-thiazol-2-ylamino)phenyl]methyl]-4,4-dimethyl-1,2-oxazolidin-3-one.
What is the SMILES notation for 2-[[2-chloro-4-(4,5-dihydro-1,3-thiazol-2-ylamino)phenyl]methyl]-4,4-dimethyl-1,2-oxazolidin-3-one?
The canonical SMILES for 2-[[2-chloro-4-(4,5-dihydro-1,3-thiazol-2-ylamino)phenyl]methyl]-4,4-dimethyl-1,2-oxazolidin-3-one is CC1(C)CON(Cc2ccc(NC3=NCCS3)cc2Cl)C1=O.
What is the InChIKey of 2-[[2-chloro-4-(4,5-dihydro-1,3-thiazol-2-ylamino)phenyl]methyl]-4,4-dimethyl-1,2-oxazolidin-3-one?
The InChIKey is UQDIQVLJSVVELK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2S/c1-15(2)9-21-19(13(15)20)8-10-3-4-11(7-12(10)16)18-14-17-5-6-22-14/h3-4,7H,5-6,8-9H2,1-2H3,(H,17,18).
What are the key properties of 2-[[2-chloro-4-(4,5-dihydro-1,3-thiazol-2-ylamino)phenyl]methyl]-4,4-dimethyl-1,2-oxazolidin-3-one?
2-[[2-chloro-4-(4,5-dihydro-1,3-thiazol-2-ylamino)phenyl]methyl]-4,4-dimethyl-1,2-oxazolidin-3-one has a molecular weight of 339.85 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-chloro-4-(4,5-dihydro-1,3-thiazol-2-ylamino)phenyl]methyl]-4,4-dimethyl-1,2-oxazolidin-3-one is sourced from PubChem (CID 56689343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).