6-[(1S)-1-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one

C19H25N3OS — CID 95582546

IUPAC6-[(1S)-1-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one
SMILESC[C@H](NCc1csc(C(C)(C)C)n1)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C19H25N3OS/c1-12(20-10-15-11-24-18(21-15)19(2,3)4)13-5-7-16-14(9-13)6-8-17(23)22-16/h5,7,9,11-12,20H,6,8,10H2,1-4H3,(H,22,23)/t12-/m0/s1
InChIKeyUTKOINWIWKDJPF-LBPRGKRZSA-N
MW343.50 g/mol
LogP4.18
Rot. Bonds4

About 6-[(1S)-1-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one

6-[(1S)-1-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 95582546) has the molecular formula C19H25N3OS and a molecular weight of 343.50 g/mol. Its IUPAC name is 6-[(1S)-1-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[(1S)-1-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID95582546
Molecular FormulaC19H25N3OS
Molecular Weight343.50 g/mol
Exact Mass343.17
IUPAC Name6-[(1S)-1-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one
SMILESC[C@H](NCc1csc(C(C)(C)C)n1)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C19H25N3OS/c1-12(20-10-15-11-24-18(21-15)19(2,3)4)13-5-7-16-14(9-13)6-8-17(23)22-16/h5,7,9,11-12,20H,6,8,10H2,1-4H3,(H,22,23)/t12-/m0/s1
InChIKeyUTKOINWIWKDJPF-LBPRGKRZSA-N
XLogP4.18
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.50
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-[(1S)-1-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one with MolForge

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Related Compounds

6-[(1R)-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 95579584
(1S)-1-(3-bromophenyl)-N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 104862921
(1R)-N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-(4-chlorophenyl)ethanamine
CID 104862911
6-[(1R)-1-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 95137572
1-(3-bromo-4-methoxyphenyl)-N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 86843042
1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]urea
CID 94048141
6-[(1S)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 97333638
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 115592159
6-[(1R)-1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 52534243
6-[(1S)-1-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 94822379
6-[(1R)-1-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 51963768
6-[1-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride
CID 51131286

Frequently Asked Questions

What is the IUPAC name of 6-[(1S)-1-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[(1S)-1-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one (CID 95582546) is 6-[(1S)-1-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[(1S)-1-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[(1S)-1-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one is C[C@H](NCc1csc(C(C)(C)C)n1)c1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of 6-[(1S)-1-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is UTKOINWIWKDJPF-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H25N3OS/c1-12(20-10-15-11-24-18(21-15)19(2,3)4)13-5-7-16-14(9-13)6-8-17(23)22-16/h5,7,9,11-12,20H,6,8,10H2,1-4H3,(H,22,23)/t12-/m0/s1.
What are the key properties of 6-[(1S)-1-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one?
6-[(1S)-1-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 343.50 g/mol, XLogP of 4.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1S)-1-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 95582546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).