(6R)-3-[(1S)-1-[4-(2,4-dimethyl-1,3-thiazol-5-yl)phenyl]ethyl]-6-(3-hydroxypropyl)-6-(4-methylphenyl)-1,3-oxazinan-2-one

C27H32N2O3S — CID 71032923

IUPAC(6R)-3-[(1S)-1-[4-(2,4-dimethyl-1,3-thiazol-5-yl)phenyl]ethyl]-6-(3-hydroxypropyl)-6-(4-methylphenyl)-1,3-oxazinan-2-one
SMILESCc1ccc([C@@]2(CCCO)CCN([C@@H](C)c3ccc(-c4sc(C)nc4C)cc3)C(=O)O2)cc1
InChIInChI=1S/C27H32N2O3S/c1-18-6-12-24(13-7-18)27(14-5-17-30)15-16-29(26(31)32-27)20(3)22-8-10-23(11-9-22)25-19(2)28-21(4)33-25/h6-13,20,30H,5,14-17H2,1-4H3/t20-,27+/m0/s1
InChIKeyWZCBEPIUNSPYJN-CCLHPLFOSA-N
MW464.63 g/mol
LogP6.31
Rot. Bonds7

About (6R)-3-[(1S)-1-[4-(2,4-dimethyl-1,3-thiazol-5-yl)phenyl]ethyl]-6-(3-hydroxypropyl)-6-(4-methylphenyl)-1,3-oxazinan-2-one

(6R)-3-[(1S)-1-[4-(2,4-dimethyl-1,3-thiazol-5-yl)phenyl]ethyl]-6-(3-hydroxypropyl)-6-(4-methylphenyl)-1,3-oxazinan-2-one (PubChem CID 71032923) has the molecular formula C27H32N2O3S and a molecular weight of 464.63 g/mol. Its IUPAC name is (6R)-3-[(1S)-1-[4-(2,4-dimethyl-1,3-thiazol-5-yl)phenyl]ethyl]-6-(3-hydroxypropyl)-6-(4-methylphenyl)-1,3-oxazinan-2-one.

Molecular Properties

Compound Name(6R)-3-[(1S)-1-[4-(2,4-dimethyl-1,3-thiazol-5-yl)phenyl]ethyl]-6-(3-hydroxypropyl)-6-(4-methylphenyl)-1,3-oxazinan-2-one
PubChem CID71032923
Molecular FormulaC27H32N2O3S
Molecular Weight464.63 g/mol
Exact Mass464.21
IUPAC Name(6R)-3-[(1S)-1-[4-(2,4-dimethyl-1,3-thiazol-5-yl)phenyl]ethyl]-6-(3-hydroxypropyl)-6-(4-methylphenyl)-1,3-oxazinan-2-one
SMILESCc1ccc([C@@]2(CCCO)CCN([C@@H](C)c3ccc(-c4sc(C)nc4C)cc3)C(=O)O2)cc1
InChIInChI=1S/C27H32N2O3S/c1-18-6-12-24(13-7-18)27(14-5-17-30)15-16-29(26(31)32-27)20(3)22-8-10-23(11-9-22)25-19(2)28-21(4)33-25/h6-13,20,30H,5,14-17H2,1-4H3/t20-,27+/m0/s1
InChIKeyWZCBEPIUNSPYJN-CCLHPLFOSA-N
XLogP6.31
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.63
LogP ≤ 56.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (6R)-3-[(1S)-1-[4-(2,4-dimethyl-1,3-thiazol-5-yl)phenyl]ethyl]-6-(3-hydroxypropyl)-6-(4-methylphenyl)-1,3-oxazinan-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

(R)-6-allyl-3-((S)-1-(4-(2,4-dimethylthiazol-5-yl)phenyl)ethyl)-6-(4-fluorophenyl)-1,3-oxazinan-2-one
CID 58109278
3-((R)-3-((S)-1-(4-(2,4-dimethylthiazol-5-yl)phenyl)ethyl)-6-(4-fluorophenyl)-2-oxo-1,3-oxazinan-6-yl)propanamide
CID 58109592
(R)-3-((S)-1-(4-(2,4-dimethylthiazol-5-yl)phenyl)ethyl)-6-(4-fluorophenyl)-6-(3-hydroxypropyl)-1,3-oxazinan-2-one
CID 58109601
3-[(1S)-1-[4-(2,4-dimethyl-1,3-thiazol-5-yl)phenyl]ethyl]-6-(4-fluorophenyl)-6-prop-2-enyl-1,3-oxazinan-2-one
CID 66856346
3-[(1S)-1-[4-(2,4-dimethyl-1,3-thiazol-5-yl)phenyl]ethyl]-6-(4-fluorophenyl)-6-(3-hydroxypropyl)-1,3-oxazinan-2-one
CID 66856572
3-[(6S)-3-[(1S)-1-[4-(2,4-dimethyl-1,3-thiazol-5-yl)phenyl]ethyl]-6-(4-fluorophenyl)-2-oxo-1,3-oxazinan-6-yl]propanamide
CID 66856745
3-[3-[(1S)-1-[4-(2,4-dimethyl-1,3-thiazol-5-yl)phenyl]ethyl]-6-(4-fluorophenyl)-2-oxo-1,3-oxazinan-6-yl]propanamide
CID 66856747
3-[1-[4-(2,4-Dimethyl-1,3-thiazol-5-yl)phenyl]ethyl]-6-(4-fluorophenyl)-6-prop-2-enyl-1,3-oxazinan-2-one
CID 87550407
3-[1-[4-(2,4-Dimethyl-1,3-thiazol-5-yl)phenyl]ethyl]-6-(4-fluorophenyl)-6-prop-2-enyl-1,3-oxazinane
CID 90902257
3-[1-[4-(2,4-Dimethyl-1,3-thiazol-5-yl)phenyl]ethyl]-5-(4-fluorophenyl)-5-prop-2-enyl-1,3-oxazolidin-2-one
CID 44230847
(S)-6-(2-Hydroxy-2-methyl-propyl)-6-phenyl-3-[(S)-1-(4-thiazol-5-yl-phenyl)-ethyl]-[1,3]oxazinan-2-one
CID 46865607
(6S)-6-(2-hydroxy-2-methylpropyl)-3-[(1S)-1-[4-(2-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one
CID 46865725

Frequently Asked Questions

What is the IUPAC name of (6R)-3-[(1S)-1-[4-(2,4-dimethyl-1,3-thiazol-5-yl)phenyl]ethyl]-6-(3-hydroxypropyl)-6-(4-methylphenyl)-1,3-oxazinan-2-one?
The IUPAC name of (6R)-3-[(1S)-1-[4-(2,4-dimethyl-1,3-thiazol-5-yl)phenyl]ethyl]-6-(3-hydroxypropyl)-6-(4-methylphenyl)-1,3-oxazinan-2-one (CID 71032923) is (6R)-3-[(1S)-1-[4-(2,4-dimethyl-1,3-thiazol-5-yl)phenyl]ethyl]-6-(3-hydroxypropyl)-6-(4-methylphenyl)-1,3-oxazinan-2-one.
What is the SMILES notation for (6R)-3-[(1S)-1-[4-(2,4-dimethyl-1,3-thiazol-5-yl)phenyl]ethyl]-6-(3-hydroxypropyl)-6-(4-methylphenyl)-1,3-oxazinan-2-one?
The canonical SMILES for (6R)-3-[(1S)-1-[4-(2,4-dimethyl-1,3-thiazol-5-yl)phenyl]ethyl]-6-(3-hydroxypropyl)-6-(4-methylphenyl)-1,3-oxazinan-2-one is Cc1ccc([C@@]2(CCCO)CCN([C@@H](C)c3ccc(-c4sc(C)nc4C)cc3)C(=O)O2)cc1.
What is the InChIKey of (6R)-3-[(1S)-1-[4-(2,4-dimethyl-1,3-thiazol-5-yl)phenyl]ethyl]-6-(3-hydroxypropyl)-6-(4-methylphenyl)-1,3-oxazinan-2-one?
The InChIKey is WZCBEPIUNSPYJN-CCLHPLFOSA-N. The full InChI is InChI=1S/C27H32N2O3S/c1-18-6-12-24(13-7-18)27(14-5-17-30)15-16-29(26(31)32-27)20(3)22-8-10-23(11-9-22)25-19(2)28-21(4)33-25/h6-13,20,30H,5,14-17H2,1-4H3/t20-,27+/m0/s1.
What are the key properties of (6R)-3-[(1S)-1-[4-(2,4-dimethyl-1,3-thiazol-5-yl)phenyl]ethyl]-6-(3-hydroxypropyl)-6-(4-methylphenyl)-1,3-oxazinan-2-one?
(6R)-3-[(1S)-1-[4-(2,4-dimethyl-1,3-thiazol-5-yl)phenyl]ethyl]-6-(3-hydroxypropyl)-6-(4-methylphenyl)-1,3-oxazinan-2-one has a molecular weight of 464.63 g/mol, XLogP of 6.31, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-3-[(1S)-1-[4-(2,4-dimethyl-1,3-thiazol-5-yl)phenyl]ethyl]-6-(3-hydroxypropyl)-6-(4-methylphenyl)-1,3-oxazinan-2-one is sourced from PubChem (CID 71032923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).