6-[2-[[(1R)-1-phenylethyl]amino]-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one

C20H19N3OS — CID 9343413

IUPAC6-[2-[[(1R)-1-phenylethyl]amino]-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
SMILESC[C@@H](Nc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1)c1ccccc1
InChIInChI=1S/C20H19N3OS/c1-13(14-5-3-2-4-6-14)21-20-23-18(12-25-20)16-7-9-17-15(11-16)8-10-19(24)22-17/h2-7,9,11-13H,8,10H2,1H3,(H,21,23)(H,22,24)/t13-/m1/s1
InChIKeyMLTDTUSBCCYEDB-CYBMUJFWSA-N
MW349.46 g/mol
LogP4.87
Rot. Bonds4

About 6-[2-[[(1R)-1-phenylethyl]amino]-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one

6-[2-[[(1R)-1-phenylethyl]amino]-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 9343413) has the molecular formula C20H19N3OS and a molecular weight of 349.46 g/mol. Its IUPAC name is 6-[2-[[(1R)-1-phenylethyl]amino]-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[2-[[(1R)-1-phenylethyl]amino]-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID9343413
Molecular FormulaC20H19N3OS
Molecular Weight349.46 g/mol
Exact Mass349.12
IUPAC Name6-[2-[[(1R)-1-phenylethyl]amino]-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
SMILESC[C@@H](Nc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1)c1ccccc1
InChIInChI=1S/C20H19N3OS/c1-13(14-5-3-2-4-6-14)21-20-23-18(12-25-20)16-7-9-17-15(11-16)8-10-19(24)22-17/h2-7,9,11-13H,8,10H2,1H3,(H,21,23)(H,22,24)/t13-/m1/s1
InChIKeyMLTDTUSBCCYEDB-CYBMUJFWSA-N
XLogP4.87
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-[2-[[(1R)-1-phenylethyl]amino]-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one with MolForge

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Launch Full Analysis

Related Compounds

5-[2-[[(1R)-1-phenylethyl]amino]-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one
CID 9343382
6-[2-(2-methylpropylamino)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
CID 9343342
(3R)-3-acetamido-N-[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]-3-phenylpropanamide
CID 41228511
5-[2-(1-phenylethylamino)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one
CID 42914895
N-[(1R)-1-phenylethyl]-4-(4-phenylphenyl)-1,3-thiazol-2-amine
CID 2464196
6-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
CID 58910717
6-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
CID 9264375
6-[2-(methylaminomethyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
CID 95475662
1-methyl-N-[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]-3-phenylpyrazole-4-carboxamide
CID 135221816
6-[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
CID 9343463
[1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
CID 18292999
5-[2-(2-methylpropylamino)-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one
CID 9343328

Frequently Asked Questions

What is the IUPAC name of 6-[2-[[(1R)-1-phenylethyl]amino]-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[2-[[(1R)-1-phenylethyl]amino]-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one (CID 9343413) is 6-[2-[[(1R)-1-phenylethyl]amino]-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[2-[[(1R)-1-phenylethyl]amino]-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[2-[[(1R)-1-phenylethyl]amino]-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one is C[C@@H](Nc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1)c1ccccc1.
What is the InChIKey of 6-[2-[[(1R)-1-phenylethyl]amino]-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is MLTDTUSBCCYEDB-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H19N3OS/c1-13(14-5-3-2-4-6-14)21-20-23-18(12-25-20)16-7-9-17-15(11-16)8-10-19(24)22-17/h2-7,9,11-13H,8,10H2,1H3,(H,21,23)(H,22,24)/t13-/m1/s1.
What are the key properties of 6-[2-[[(1R)-1-phenylethyl]amino]-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one?
6-[2-[[(1R)-1-phenylethyl]amino]-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 349.46 g/mol, XLogP of 4.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[[(1R)-1-phenylethyl]amino]-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 9343413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).