3-[4-[[2-[7-(3-methyl-2-oxoimidazolidin-1-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-1,3-thiazol-5-yl]methyl]phenyl]-1,3-oxazolidin-2-one

C26H27N5O3S — CID 138571198

IUPAC3-[4-[[2-[7-(3-methyl-2-oxoimidazolidin-1-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-1,3-thiazol-5-yl]methyl]phenyl]-1,3-oxazolidin-2-one
SMILESCN1CCN(c2ccc3c(c2)CN(c2ncc(Cc4ccc(N5CCOC5=O)cc4)s2)CC3)C1=O
InChIInChI=1S/C26H27N5O3S/c1-28-10-11-30(25(28)32)22-7-4-19-8-9-29(17-20(19)15-22)24-27-16-23(35-24)14-18-2-5-21(6-3-18)31-12-13-34-26(31)33/h2-7,15-16H,8-14,17H2,1H3
InChIKeyNFTNCLIFAHPBNI-UHFFFAOYSA-N
MW489.60 g/mol
LogP4.12
Rot. Bonds5

About 3-[4-[[2-[7-(3-methyl-2-oxoimidazolidin-1-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-1,3-thiazol-5-yl]methyl]phenyl]-1,3-oxazolidin-2-one

3-[4-[[2-[7-(3-methyl-2-oxoimidazolidin-1-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-1,3-thiazol-5-yl]methyl]phenyl]-1,3-oxazolidin-2-one (PubChem CID 138571198) has the molecular formula C26H27N5O3S and a molecular weight of 489.60 g/mol. Its IUPAC name is 3-[4-[[2-[7-(3-methyl-2-oxoimidazolidin-1-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-1,3-thiazol-5-yl]methyl]phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[4-[[2-[7-(3-methyl-2-oxoimidazolidin-1-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-1,3-thiazol-5-yl]methyl]phenyl]-1,3-oxazolidin-2-one
PubChem CID138571198
Molecular FormulaC26H27N5O3S
Molecular Weight489.60 g/mol
Exact Mass489.18
IUPAC Name3-[4-[[2-[7-(3-methyl-2-oxoimidazolidin-1-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-1,3-thiazol-5-yl]methyl]phenyl]-1,3-oxazolidin-2-one
SMILESCN1CCN(c2ccc3c(c2)CN(c2ncc(Cc4ccc(N5CCOC5=O)cc4)s2)CC3)C1=O
InChIInChI=1S/C26H27N5O3S/c1-28-10-11-30(25(28)32)22-7-4-19-8-9-29(17-20(19)15-22)24-27-16-23(35-24)14-18-2-5-21(6-3-18)31-12-13-34-26(31)33/h2-7,15-16H,8-14,17H2,1H3
InChIKeyNFTNCLIFAHPBNI-UHFFFAOYSA-N
XLogP4.12
TPSA69.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.60
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[4-[[2-[7-(3-methyl-2-oxoimidazolidin-1-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-1,3-thiazol-5-yl]methyl]phenyl]-1,3-oxazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[[2-[7-(3-methyl-2-oxoimidazolidin-1-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-1,3-thiazol-5-yl]methyl]phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[4-[[2-[7-(3-methyl-2-oxoimidazolidin-1-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-1,3-thiazol-5-yl]methyl]phenyl]-1,3-oxazolidin-2-one (CID 138571198) is 3-[4-[[2-[7-(3-methyl-2-oxoimidazolidin-1-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-1,3-thiazol-5-yl]methyl]phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[4-[[2-[7-(3-methyl-2-oxoimidazolidin-1-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-1,3-thiazol-5-yl]methyl]phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[4-[[2-[7-(3-methyl-2-oxoimidazolidin-1-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-1,3-thiazol-5-yl]methyl]phenyl]-1,3-oxazolidin-2-one is CN1CCN(c2ccc3c(c2)CN(c2ncc(Cc4ccc(N5CCOC5=O)cc4)s2)CC3)C1=O.
What is the InChIKey of 3-[4-[[2-[7-(3-methyl-2-oxoimidazolidin-1-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-1,3-thiazol-5-yl]methyl]phenyl]-1,3-oxazolidin-2-one?
The InChIKey is NFTNCLIFAHPBNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O3S/c1-28-10-11-30(25(28)32)22-7-4-19-8-9-29(17-20(19)15-22)24-27-16-23(35-24)14-18-2-5-21(6-3-18)31-12-13-34-26(31)33/h2-7,15-16H,8-14,17H2,1H3.
What are the key properties of 3-[4-[[2-[7-(3-methyl-2-oxoimidazolidin-1-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-1,3-thiazol-5-yl]methyl]phenyl]-1,3-oxazolidin-2-one?
3-[4-[[2-[7-(3-methyl-2-oxoimidazolidin-1-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-1,3-thiazol-5-yl]methyl]phenyl]-1,3-oxazolidin-2-one has a molecular weight of 489.60 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[2-[7-(3-methyl-2-oxoimidazolidin-1-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-1,3-thiazol-5-yl]methyl]phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 138571198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).