3-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]pyrrolidine-2,5-dione

C14H12ClN3O2S — CID 168582655

IUPAC3-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]pyrrolidine-2,5-dione
SMILESO=C1CC(c2ccc(NCc3cnc(Cl)s3)cc2)C(=O)N1
InChIInChI=1S/C14H12ClN3O2S/c15-14-17-7-10(21-14)6-16-9-3-1-8(2-4-9)11-5-12(19)18-13(11)20/h1-4,7,11,16H,5-6H2,(H,18,19,20)
InChIKeyUFZFEEOVBAXKPI-UHFFFAOYSA-N
MW321.79 g/mol
LogP2.54
Rot. Bonds4

About 3-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]pyrrolidine-2,5-dione

3-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]pyrrolidine-2,5-dione (PubChem CID 168582655) has the molecular formula C14H12ClN3O2S and a molecular weight of 321.79 g/mol. Its IUPAC name is 3-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]pyrrolidine-2,5-dione
PubChem CID168582655
Molecular FormulaC14H12ClN3O2S
Molecular Weight321.79 g/mol
Exact Mass321.03
IUPAC Name3-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]pyrrolidine-2,5-dione
SMILESO=C1CC(c2ccc(NCc3cnc(Cl)s3)cc2)C(=O)N1
InChIInChI=1S/C14H12ClN3O2S/c15-14-17-7-10(21-14)6-16-9-3-1-8(2-4-9)11-5-12(19)18-13(11)20/h1-4,7,11,16H,5-6H2,(H,18,19,20)
InChIKeyUFZFEEOVBAXKPI-UHFFFAOYSA-N
XLogP2.54
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.79
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

6-[(2-chloro-1,3-thiazol-5-yl)methylamino]-4,4-dimethyl-1,3-dihydroquinolin-2-one
CID 168580850
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-methylsulfonylaniline
CID 168579595
4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N,N-dimethylbenzenesulfonamide
CID 168579937
[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]boronic acid
CID 168583966
4-[(2-chloro-1,3-thiazol-5-yl)methylamino]benzonitrile
CID 168579564
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-(2-phenoxyethoxy)aniline
CID 168583829
N-(1-adamantyl)-4-[(2-chloro-1,3-thiazol-5-yl)methylamino]benzenesulfonamide
CID 168581558
6-[(2-chloro-1,3-thiazol-5-yl)methylamino]-8-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 168581627
4-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methylaniline
CID 168582394
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-(2-piperidin-1-ylethoxy)aniline
CID 168584019
1-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-N,4-N-diethylbenzene-1,4-diamine
CID 168581662
4-(5-bromopyrimidin-2-yl)sulfanyl-N-[(2-chloro-1,3-thiazol-5-yl)methyl]aniline
CID 168583965

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]pyrrolidine-2,5-dione?
The IUPAC name of 3-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]pyrrolidine-2,5-dione (CID 168582655) is 3-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]pyrrolidine-2,5-dione is O=C1CC(c2ccc(NCc3cnc(Cl)s3)cc2)C(=O)N1.
What is the InChIKey of 3-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]pyrrolidine-2,5-dione?
The InChIKey is UFZFEEOVBAXKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O2S/c15-14-17-7-10(21-14)6-16-9-3-1-8(2-4-9)11-5-12(19)18-13(11)20/h1-4,7,11,16H,5-6H2,(H,18,19,20).
What are the key properties of 3-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]pyrrolidine-2,5-dione?
3-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]pyrrolidine-2,5-dione has a molecular weight of 321.79 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 168582655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).