2-[2-chloro-5-(3-methylmorpholine-4-carbonyl)phenyl]-1,1-dioxo-1,2-thiazolidin-3-one

C15H17ClN2O5S — CID 110309771

IUPAC2-[2-chloro-5-(3-methylmorpholine-4-carbonyl)phenyl]-1,1-dioxo-1,2-thiazolidin-3-one
SMILESCC1COCCN1C(=O)c1ccc(Cl)c(N2C(=O)CCS2(=O)=O)c1
InChIInChI=1S/C15H17ClN2O5S/c1-10-9-23-6-5-17(10)15(20)11-2-3-12(16)13(8-11)18-14(19)4-7-24(18,21)22/h2-3,8,10H,4-7,9H2,1H3
InChIKeyWHDGUPICDGTBOU-UHFFFAOYSA-N
MW372.83 g/mol
LogP1.27
Rot. Bonds2

About 2-[2-chloro-5-(3-methylmorpholine-4-carbonyl)phenyl]-1,1-dioxo-1,2-thiazolidin-3-one

2-[2-chloro-5-(3-methylmorpholine-4-carbonyl)phenyl]-1,1-dioxo-1,2-thiazolidin-3-one (PubChem CID 110309771) has the molecular formula C15H17ClN2O5S and a molecular weight of 372.83 g/mol. Its IUPAC name is 2-[2-chloro-5-(3-methylmorpholine-4-carbonyl)phenyl]-1,1-dioxo-1,2-thiazolidin-3-one.

Molecular Properties

Compound Name2-[2-chloro-5-(3-methylmorpholine-4-carbonyl)phenyl]-1,1-dioxo-1,2-thiazolidin-3-one
PubChem CID110309771
Molecular FormulaC15H17ClN2O5S
Molecular Weight372.83 g/mol
Exact Mass372.05
IUPAC Name2-[2-chloro-5-(3-methylmorpholine-4-carbonyl)phenyl]-1,1-dioxo-1,2-thiazolidin-3-one
SMILESCC1COCCN1C(=O)c1ccc(Cl)c(N2C(=O)CCS2(=O)=O)c1
InChIInChI=1S/C15H17ClN2O5S/c1-10-9-23-6-5-17(10)15(20)11-2-3-12(16)13(8-11)18-14(19)4-7-24(18,21)22/h2-3,8,10H,4-7,9H2,1H3
InChIKeyWHDGUPICDGTBOU-UHFFFAOYSA-N
XLogP1.27
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.83
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[2-chloro-5-(3-methylmorpholine-4-carbonyl)phenyl]-1,1-dioxo-1,2-thiazolidin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzoyl chloride
CID 16642603
(3,4-difluorophenyl)-(3-methylmorpholin-4-yl)methanone
CID 110292238
(6-chloro-3-pyridinyl)-(3-methylmorpholin-4-yl)methanone
CID 43429048
4-chloro-N-[[(2R)-oxolan-2-yl]methyl]-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 42347574
1H-indol-5-yl-(3-methylmorpholin-4-yl)methanone
CID 63717142
[4-(1,1-dioxothiazinan-2-yl)phenyl]-(3-methylmorpholin-4-yl)methanone
CID 110309760
[4-bromo-3-(trifluoromethyl)phenyl]-[(3R)-3-methylmorpholin-4-yl]methanone
CID 106832464
[3-(1,1-dioxothiazinan-2-yl)phenyl]-(3-methylmorpholin-4-yl)methanone
CID 110309764
(3-methylmorpholin-4-yl)-(3-phenylphenyl)methanone
CID 110292242
(6-amino-5-chloro-3-pyridinyl)-(3-methylmorpholin-4-yl)methanone
CID 55041929
4-methyl-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzoyl chloride
CID 16642602
N-[4-(3-methylmorpholine-4-carbonyl)phenyl]methanesulfonamide
CID 47174328

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-5-(3-methylmorpholine-4-carbonyl)phenyl]-1,1-dioxo-1,2-thiazolidin-3-one?
The IUPAC name of 2-[2-chloro-5-(3-methylmorpholine-4-carbonyl)phenyl]-1,1-dioxo-1,2-thiazolidin-3-one (CID 110309771) is 2-[2-chloro-5-(3-methylmorpholine-4-carbonyl)phenyl]-1,1-dioxo-1,2-thiazolidin-3-one.
What is the SMILES notation for 2-[2-chloro-5-(3-methylmorpholine-4-carbonyl)phenyl]-1,1-dioxo-1,2-thiazolidin-3-one?
The canonical SMILES for 2-[2-chloro-5-(3-methylmorpholine-4-carbonyl)phenyl]-1,1-dioxo-1,2-thiazolidin-3-one is CC1COCCN1C(=O)c1ccc(Cl)c(N2C(=O)CCS2(=O)=O)c1.
What is the InChIKey of 2-[2-chloro-5-(3-methylmorpholine-4-carbonyl)phenyl]-1,1-dioxo-1,2-thiazolidin-3-one?
The InChIKey is WHDGUPICDGTBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O5S/c1-10-9-23-6-5-17(10)15(20)11-2-3-12(16)13(8-11)18-14(19)4-7-24(18,21)22/h2-3,8,10H,4-7,9H2,1H3.
What are the key properties of 2-[2-chloro-5-(3-methylmorpholine-4-carbonyl)phenyl]-1,1-dioxo-1,2-thiazolidin-3-one?
2-[2-chloro-5-(3-methylmorpholine-4-carbonyl)phenyl]-1,1-dioxo-1,2-thiazolidin-3-one has a molecular weight of 372.83 g/mol, XLogP of 1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-5-(3-methylmorpholine-4-carbonyl)phenyl]-1,1-dioxo-1,2-thiazolidin-3-one is sourced from PubChem (CID 110309771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).