4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-cyclopropyl-3H-isoindol-1-one

C15H14ClN3OS — CID 168582484

IUPAC4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-cyclopropyl-3H-isoindol-1-one
SMILESO=C1c2cccc(NCc3cnc(Cl)s3)c2CN1C1CC1
InChIInChI=1S/C15H14ClN3OS/c16-15-18-7-10(21-15)6-17-13-3-1-2-11-12(13)8-19(14(11)20)9-4-5-9/h1-3,7,9,17H,4-6,8H2
InChIKeyZPQHEBKCXYBAPC-UHFFFAOYSA-N
MW319.82 g/mol
LogP3.53
Rot. Bonds4

About 4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-cyclopropyl-3H-isoindol-1-one

4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-cyclopropyl-3H-isoindol-1-one (PubChem CID 168582484) has the molecular formula C15H14ClN3OS and a molecular weight of 319.82 g/mol. Its IUPAC name is 4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-cyclopropyl-3H-isoindol-1-one.

Molecular Properties

Compound Name4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-cyclopropyl-3H-isoindol-1-one
PubChem CID168582484
Molecular FormulaC15H14ClN3OS
Molecular Weight319.82 g/mol
Exact Mass319.05
IUPAC Name4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-cyclopropyl-3H-isoindol-1-one
SMILESO=C1c2cccc(NCc3cnc(Cl)s3)c2CN1C1CC1
InChIInChI=1S/C15H14ClN3OS/c16-15-18-7-10(21-15)6-17-13-3-1-2-11-12(13)8-19(14(11)20)9-4-5-9/h1-3,7,9,17H,4-6,8H2
InChIKeyZPQHEBKCXYBAPC-UHFFFAOYSA-N
XLogP3.53
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.82
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-cyclopropyl-3H-isoindol-1-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

8-[(2-chloro-1,3-thiazol-5-yl)methylamino]-3-methyl-1,4-dihydroquinazolin-2-one
CID 168581198
8-[(2-chloro-1,3-thiazol-5-yl)methylamino]-4,4-dimethyl-1,2-dihydroisoquinolin-3-one
CID 168581328
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-thiophen-3-ylaniline
CID 168581774
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-cyclohexyloxyaniline
CID 168583349
8-[(2-chloro-1,3-thiazol-5-yl)methylamino]-4-methyl-1,4-benzoxazin-3-one
CID 168583782
3-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-5-methylimidazolidine-2,4-dione
CID 168583817
1-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]piperidin-4-ol
CID 168580176
N-[3-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-methylphenyl]cyclopentanecarboxamide
CID 168584196
2-bromo-3-[(2-chloro-1,3-thiazol-5-yl)methylamino]benzoic acid
CID 168579944
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)aniline
CID 168583670
1-[3-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-hydroxyphenyl]ethanone
CID 168580226
3-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-propan-2-ylsulfanylaniline
CID 168584225

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-cyclopropyl-3H-isoindol-1-one?
The IUPAC name of 4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-cyclopropyl-3H-isoindol-1-one (CID 168582484) is 4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-cyclopropyl-3H-isoindol-1-one.
What is the SMILES notation for 4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-cyclopropyl-3H-isoindol-1-one?
The canonical SMILES for 4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-cyclopropyl-3H-isoindol-1-one is O=C1c2cccc(NCc3cnc(Cl)s3)c2CN1C1CC1.
What is the InChIKey of 4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-cyclopropyl-3H-isoindol-1-one?
The InChIKey is ZPQHEBKCXYBAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3OS/c16-15-18-7-10(21-15)6-17-13-3-1-2-11-12(13)8-19(14(11)20)9-4-5-9/h1-3,7,9,17H,4-6,8H2.
What are the key properties of 4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-cyclopropyl-3H-isoindol-1-one?
4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-cyclopropyl-3H-isoindol-1-one has a molecular weight of 319.82 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-cyclopropyl-3H-isoindol-1-one is sourced from PubChem (CID 168582484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).