5-[(2-chloro-1,3-thiazol-5-yl)methylamino]-1-ethyl-3H-indol-2-one

C14H14ClN3OS — CID 168583424

IUPAC5-[(2-chloro-1,3-thiazol-5-yl)methylamino]-1-ethyl-3H-indol-2-one
SMILESCCN1C(=O)Cc2cc(NCc3cnc(Cl)s3)ccc21
InChIInChI=1S/C14H14ClN3OS/c1-2-18-12-4-3-10(5-9(12)6-13(18)19)16-7-11-8-17-14(15)20-11/h3-5,8,16H,2,6-7H2,1H3
InChIKeyPYKBTQXHPWFWEV-UHFFFAOYSA-N
MW307.81 g/mol
LogP3.32
Rot. Bonds4

About 5-[(2-chloro-1,3-thiazol-5-yl)methylamino]-1-ethyl-3H-indol-2-one

5-[(2-chloro-1,3-thiazol-5-yl)methylamino]-1-ethyl-3H-indol-2-one (PubChem CID 168583424) has the molecular formula C14H14ClN3OS and a molecular weight of 307.81 g/mol. Its IUPAC name is 5-[(2-chloro-1,3-thiazol-5-yl)methylamino]-1-ethyl-3H-indol-2-one.

Molecular Properties

Compound Name5-[(2-chloro-1,3-thiazol-5-yl)methylamino]-1-ethyl-3H-indol-2-one
PubChem CID168583424
Molecular FormulaC14H14ClN3OS
Molecular Weight307.81 g/mol
Exact Mass307.05
IUPAC Name5-[(2-chloro-1,3-thiazol-5-yl)methylamino]-1-ethyl-3H-indol-2-one
SMILESCCN1C(=O)Cc2cc(NCc3cnc(Cl)s3)ccc21
InChIInChI=1S/C14H14ClN3OS/c1-2-18-12-4-3-10(5-9(12)6-13(18)19)16-7-11-8-17-14(15)20-11/h3-5,8,16H,2,6-7H2,1H3
InChIKeyPYKBTQXHPWFWEV-UHFFFAOYSA-N
XLogP3.32
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.81
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[(2-chloro-1,3-thiazol-5-yl)methylamino]-1-ethyl-3H-indol-2-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

7-[(2-chloro-1,3-thiazol-5-yl)methylamino]-1-methyl-3,4-dihydroquinazolin-2-one
CID 168582587
1-[5-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2,3-dihydroindol-1-yl]ethanone
CID 168580151
1-ethyl-5-(methylamino)-3H-indol-2-one
CID 82551072
1-[4-[2-chloro-4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]piperazin-1-yl]butan-1-one
CID 168583526
5-[(5-chloro-2-methylpyrimidin-4-yl)amino]-1-ethyl-3H-indol-2-one
CID 176947867
N-(1-ethyl-2-oxo-3H-indol-5-yl)acetamide
CID 20933157
ethyl 4-[2-chloro-4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]piperazine-1-carboxylate
CID 168583525
4-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methylaniline
CID 168582394
7-[(2-chloro-1,3-thiazol-5-yl)methylamino]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one
CID 168582884
5-chloro-2-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-methylphenyl]isoindole-1,3-dione
CID 168581302
2,5-dichloro-N-(1-ethyl-2-oxo-3H-indol-5-yl)benzenesulfonamide
CID 41342434
2-chloro-N-(1-ethyl-2-oxo-3H-indol-5-yl)benzamide
CID 27639248

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-1,3-thiazol-5-yl)methylamino]-1-ethyl-3H-indol-2-one?
The IUPAC name of 5-[(2-chloro-1,3-thiazol-5-yl)methylamino]-1-ethyl-3H-indol-2-one (CID 168583424) is 5-[(2-chloro-1,3-thiazol-5-yl)methylamino]-1-ethyl-3H-indol-2-one.
What is the SMILES notation for 5-[(2-chloro-1,3-thiazol-5-yl)methylamino]-1-ethyl-3H-indol-2-one?
The canonical SMILES for 5-[(2-chloro-1,3-thiazol-5-yl)methylamino]-1-ethyl-3H-indol-2-one is CCN1C(=O)Cc2cc(NCc3cnc(Cl)s3)ccc21.
What is the InChIKey of 5-[(2-chloro-1,3-thiazol-5-yl)methylamino]-1-ethyl-3H-indol-2-one?
The InChIKey is PYKBTQXHPWFWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3OS/c1-2-18-12-4-3-10(5-9(12)6-13(18)19)16-7-11-8-17-14(15)20-11/h3-5,8,16H,2,6-7H2,1H3.
What are the key properties of 5-[(2-chloro-1,3-thiazol-5-yl)methylamino]-1-ethyl-3H-indol-2-one?
5-[(2-chloro-1,3-thiazol-5-yl)methylamino]-1-ethyl-3H-indol-2-one has a molecular weight of 307.81 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-1,3-thiazol-5-yl)methylamino]-1-ethyl-3H-indol-2-one is sourced from PubChem (CID 168583424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).