6-[(2-chloro-1,3-thiazol-5-yl)methylamino]-4,4-dimethyl-1,3-dihydroquinolin-2-one

C15H16ClN3OS — CID 168580850

IUPAC6-[(2-chloro-1,3-thiazol-5-yl)methylamino]-4,4-dimethyl-1,3-dihydroquinolin-2-one
SMILESCC1(C)CC(=O)Nc2ccc(NCc3cnc(Cl)s3)cc21
InChIInChI=1S/C15H16ClN3OS/c1-15(2)6-13(20)19-12-4-3-9(5-11(12)15)17-7-10-8-18-14(16)21-10/h3-5,8,17H,6-7H2,1-2H3,(H,19,20)
InChIKeyCZKBMYLIOBQTMF-UHFFFAOYSA-N
MW321.83 g/mol
LogP4.03
Rot. Bonds3

About 6-[(2-chloro-1,3-thiazol-5-yl)methylamino]-4,4-dimethyl-1,3-dihydroquinolin-2-one

6-[(2-chloro-1,3-thiazol-5-yl)methylamino]-4,4-dimethyl-1,3-dihydroquinolin-2-one (PubChem CID 168580850) has the molecular formula C15H16ClN3OS and a molecular weight of 321.83 g/mol. Its IUPAC name is 6-[(2-chloro-1,3-thiazol-5-yl)methylamino]-4,4-dimethyl-1,3-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-[(2-chloro-1,3-thiazol-5-yl)methylamino]-4,4-dimethyl-1,3-dihydroquinolin-2-one
PubChem CID168580850
Molecular FormulaC15H16ClN3OS
Molecular Weight321.83 g/mol
Exact Mass321.07
IUPAC Name6-[(2-chloro-1,3-thiazol-5-yl)methylamino]-4,4-dimethyl-1,3-dihydroquinolin-2-one
SMILESCC1(C)CC(=O)Nc2ccc(NCc3cnc(Cl)s3)cc21
InChIInChI=1S/C15H16ClN3OS/c1-15(2)6-13(20)19-12-4-3-9(5-11(12)15)17-7-10-8-18-14(16)21-10/h3-5,8,17H,6-7H2,1-2H3,(H,19,20)
InChIKeyCZKBMYLIOBQTMF-UHFFFAOYSA-N
XLogP4.03
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.83
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-[(2-chloro-1,3-thiazol-5-yl)methylamino]-4,4-dimethyl-1,3-dihydroquinolin-2-one with MolForge

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Related Compounds

7-[(2-chloro-1,3-thiazol-5-yl)methylamino]-1-methyl-3,4-dihydroquinazolin-2-one
CID 168582587
4-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methylaniline
CID 168582394
3-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]pyrrolidine-2,5-dione
CID 168582655
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-iodo-3-methylaniline
CID 168581142
tert-butyl 7-[(2-chloro-1,3-thiazol-5-yl)methylamino]-4,4-dimethyl-1,3-dihydroisoquinoline-2-carboxylate
CID 168581213
3-bromo-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2H-indazol-5-amine
CID 168583171
4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-hydroxybenzoic acid
CID 168579616
2-tert-butyl-5-[(2-chloro-1,3-thiazol-5-yl)methylamino]isoindole-1,3-dione
CID 168581821
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-(3,4-dimethylphenyl)aniline
CID 168582409
6-[(2-chloro-1,3-thiazol-5-yl)methylamino]chromen-4-one
CID 168583307
5-[(2-chloro-1,3-thiazol-5-yl)methylamino]-1-ethyl-3H-indol-2-one
CID 168583424
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-methylsulfonylaniline
CID 168579595

Frequently Asked Questions

What is the IUPAC name of 6-[(2-chloro-1,3-thiazol-5-yl)methylamino]-4,4-dimethyl-1,3-dihydroquinolin-2-one?
The IUPAC name of 6-[(2-chloro-1,3-thiazol-5-yl)methylamino]-4,4-dimethyl-1,3-dihydroquinolin-2-one (CID 168580850) is 6-[(2-chloro-1,3-thiazol-5-yl)methylamino]-4,4-dimethyl-1,3-dihydroquinolin-2-one.
What is the SMILES notation for 6-[(2-chloro-1,3-thiazol-5-yl)methylamino]-4,4-dimethyl-1,3-dihydroquinolin-2-one?
The canonical SMILES for 6-[(2-chloro-1,3-thiazol-5-yl)methylamino]-4,4-dimethyl-1,3-dihydroquinolin-2-one is CC1(C)CC(=O)Nc2ccc(NCc3cnc(Cl)s3)cc21.
What is the InChIKey of 6-[(2-chloro-1,3-thiazol-5-yl)methylamino]-4,4-dimethyl-1,3-dihydroquinolin-2-one?
The InChIKey is CZKBMYLIOBQTMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3OS/c1-15(2)6-13(20)19-12-4-3-9(5-11(12)15)17-7-10-8-18-14(16)21-10/h3-5,8,17H,6-7H2,1-2H3,(H,19,20).
What are the key properties of 6-[(2-chloro-1,3-thiazol-5-yl)methylamino]-4,4-dimethyl-1,3-dihydroquinolin-2-one?
6-[(2-chloro-1,3-thiazol-5-yl)methylamino]-4,4-dimethyl-1,3-dihydroquinolin-2-one has a molecular weight of 321.83 g/mol, XLogP of 4.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-chloro-1,3-thiazol-5-yl)methylamino]-4,4-dimethyl-1,3-dihydroquinolin-2-one is sourced from PubChem (CID 168580850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).