(2S)-2-[(S)-(3-amino-9-oxo-8H-[1,2]thiazolo[5,4-f]quinazolin-7-yl)-hydroxymethyl]-4-[3-(2-hydroxypropan-2-yl)phenyl]-2-methylmorpholin-3-one

C24H25N5O5S — CID 161193692

IUPAC(2S)-2-[(S)-(3-amino-9-oxo-8H-[1,2]thiazolo[5,4-f]quinazolin-7-yl)-hydroxymethyl]-4-[3-(2-hydroxypropan-2-yl)phenyl]-2-methylmorpholin-3-one
SMILESCC(C)(O)c1cccc(N2CCO[C@@](C)([C@@H](O)c3nc4ccc5c(N)nsc5c4c(=O)[nH]3)C2=O)c1
InChIInChI=1S/C24H25N5O5S/c1-23(2,33)12-5-4-6-13(11-12)29-9-10-34-24(3,22(29)32)18(30)20-26-15-8-7-14-17(35-28-19(14)25)16(15)21(31)27-20/h4-8,11,18,30,33H,9-10H2,1-3H3,(H2,25,28)(H,26,27,31)/t18-,24-/m0/s1
InChIKeyUUBHSBHTNGPAHR-UUOWRZLLSA-N
MW495.56 g/mol
LogP2.20
Rot. Bonds4

About (2S)-2-[(S)-(3-amino-9-oxo-8H-[1,2]thiazolo[5,4-f]quinazolin-7-yl)-hydroxymethyl]-4-[3-(2-hydroxypropan-2-yl)phenyl]-2-methylmorpholin-3-one

(2S)-2-[(S)-(3-amino-9-oxo-8H-[1,2]thiazolo[5,4-f]quinazolin-7-yl)-hydroxymethyl]-4-[3-(2-hydroxypropan-2-yl)phenyl]-2-methylmorpholin-3-one (PubChem CID 161193692) has the molecular formula C24H25N5O5S and a molecular weight of 495.56 g/mol. Its IUPAC name is (2S)-2-[(S)-(3-amino-9-oxo-8H-[1,2]thiazolo[5,4-f]quinazolin-7-yl)-hydroxymethyl]-4-[3-(2-hydroxypropan-2-yl)phenyl]-2-methylmorpholin-3-one.

Molecular Properties

Compound Name(2S)-2-[(S)-(3-amino-9-oxo-8H-[1,2]thiazolo[5,4-f]quinazolin-7-yl)-hydroxymethyl]-4-[3-(2-hydroxypropan-2-yl)phenyl]-2-methylmorpholin-3-one
PubChem CID161193692
Molecular FormulaC24H25N5O5S
Molecular Weight495.56 g/mol
Exact Mass495.16
IUPAC Name(2S)-2-[(S)-(3-amino-9-oxo-8H-[1,2]thiazolo[5,4-f]quinazolin-7-yl)-hydroxymethyl]-4-[3-(2-hydroxypropan-2-yl)phenyl]-2-methylmorpholin-3-one
SMILESCC(C)(O)c1cccc(N2CCO[C@@](C)([C@@H](O)c3nc4ccc5c(N)nsc5c4c(=O)[nH]3)C2=O)c1
InChIInChI=1S/C24H25N5O5S/c1-23(2,33)12-5-4-6-13(11-12)29-9-10-34-24(3,22(29)32)18(30)20-26-15-8-7-14-17(35-28-19(14)25)16(15)21(31)27-20/h4-8,11,18,30,33H,9-10H2,1-3H3,(H2,25,28)(H,26,27,31)/t18-,24-/m0/s1
InChIKeyUUBHSBHTNGPAHR-UUOWRZLLSA-N
XLogP2.20
TPSA154.66 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.56
LogP ≤ 52.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze (2S)-2-[(S)-(3-amino-9-oxo-8H-[1,2]thiazolo[5,4-f]quinazolin-7-yl)-hydroxymethyl]-4-[3-(2-hydroxypropan-2-yl)phenyl]-2-methylmorpholin-3-one with MolForge

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Related Compounds

2-[(S)-(3-amino-9-oxo-8H-[1,2]thiazolo[5,4-f]quinazolin-7-yl)-hydroxymethyl]-2-methyl-4-(1-pyridazin-4-ylpyrazol-3-yl)morpholin-3-one
CID 136506715
2-[(S)-(3-amino-9-oxo-8H-[1,2]thiazolo[5,4-f]quinazolin-7-yl)-hydroxymethyl]-2-[6-(2-hydroxypropan-2-yl)-5-(trifluoromethyl)-2-pyridinyl]morpholin-3-one
CID 137197788
3-amino-7-propan-2-yl-8H-[1,2]thiazolo[5,4-f]quinazolin-9-one
CID 136960117
2-[(S)-(3-amino-9-oxo-8H-[1,2]thiazolo[5,4-f]quinazolin-7-yl)-hydroxymethyl]-4-[6-(1-hydroxycyclobutyl)-2-pyridinyl]morpholin-3-one
CID 137014914
2-[(3-amino-9-oxo-8H-[1,2]thiazolo[5,4-f]quinazolin-7-yl)-hydroxymethyl]-4-[5-methyl-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-3-yl]morpholin-3-one
CID 137157804
tert-butyl (2R)-2-hydroxy-2-[(2R)-2-methyl-3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]acetate
CID 118496317
N-(3-amino-1,2-benzoxazol-6-yl)-2-hydroxy-2-[(2R)-2-methyl-4-[6-(1,2-oxazol-4-yl)-2-pyridinyl]-3-oxomorpholin-2-yl]acetamide
CID 140697751
N-(3-amino-1,2-benzoxazol-6-yl)-2-hydroxy-2-[(2R)-2-methyl-3-oxo-4-(6-pyridazin-4-yl-2-pyridinyl)morpholin-2-yl]acetamide
CID 140697766
N-(3-amino-1,2-benzoxazol-6-yl)-2-hydroxy-2-[(2R)-2-methyl-3-oxo-4-[1-[5-(trifluoromethyl)-3-pyridinyl]pyrazol-3-yl]morpholin-2-yl]acetamide
CID 140697761
N-(3-amino-1,2-benzoxazol-6-yl)-2-hydroxy-2-[(2R)-2-methyl-3-oxo-4-(1-pyridin-3-ylpyrazol-3-yl)morpholin-2-yl]acetamide
CID 140697765
4-[3-[4-amino-5-(1H-indol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]-2,2-dimethylmorpholin-3-one
CID 137211086
N-(3-amino-1,2-benzoxazol-6-yl)-2-[4-(1-cyclopropyl-5-methylpyrazol-3-yl)-2-methyl-3-oxomorpholin-2-yl]-2-hydroxyacetamide
CID 118496367

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(S)-(3-amino-9-oxo-8H-[1,2]thiazolo[5,4-f]quinazolin-7-yl)-hydroxymethyl]-4-[3-(2-hydroxypropan-2-yl)phenyl]-2-methylmorpholin-3-one?
The IUPAC name of (2S)-2-[(S)-(3-amino-9-oxo-8H-[1,2]thiazolo[5,4-f]quinazolin-7-yl)-hydroxymethyl]-4-[3-(2-hydroxypropan-2-yl)phenyl]-2-methylmorpholin-3-one (CID 161193692) is (2S)-2-[(S)-(3-amino-9-oxo-8H-[1,2]thiazolo[5,4-f]quinazolin-7-yl)-hydroxymethyl]-4-[3-(2-hydroxypropan-2-yl)phenyl]-2-methylmorpholin-3-one.
What is the SMILES notation for (2S)-2-[(S)-(3-amino-9-oxo-8H-[1,2]thiazolo[5,4-f]quinazolin-7-yl)-hydroxymethyl]-4-[3-(2-hydroxypropan-2-yl)phenyl]-2-methylmorpholin-3-one?
The canonical SMILES for (2S)-2-[(S)-(3-amino-9-oxo-8H-[1,2]thiazolo[5,4-f]quinazolin-7-yl)-hydroxymethyl]-4-[3-(2-hydroxypropan-2-yl)phenyl]-2-methylmorpholin-3-one is CC(C)(O)c1cccc(N2CCO[C@@](C)([C@@H](O)c3nc4ccc5c(N)nsc5c4c(=O)[nH]3)C2=O)c1.
What is the InChIKey of (2S)-2-[(S)-(3-amino-9-oxo-8H-[1,2]thiazolo[5,4-f]quinazolin-7-yl)-hydroxymethyl]-4-[3-(2-hydroxypropan-2-yl)phenyl]-2-methylmorpholin-3-one?
The InChIKey is UUBHSBHTNGPAHR-UUOWRZLLSA-N. The full InChI is InChI=1S/C24H25N5O5S/c1-23(2,33)12-5-4-6-13(11-12)29-9-10-34-24(3,22(29)32)18(30)20-26-15-8-7-14-17(35-28-19(14)25)16(15)21(31)27-20/h4-8,11,18,30,33H,9-10H2,1-3H3,(H2,25,28)(H,26,27,31)/t18-,24-/m0/s1.
What are the key properties of (2S)-2-[(S)-(3-amino-9-oxo-8H-[1,2]thiazolo[5,4-f]quinazolin-7-yl)-hydroxymethyl]-4-[3-(2-hydroxypropan-2-yl)phenyl]-2-methylmorpholin-3-one?
(2S)-2-[(S)-(3-amino-9-oxo-8H-[1,2]thiazolo[5,4-f]quinazolin-7-yl)-hydroxymethyl]-4-[3-(2-hydroxypropan-2-yl)phenyl]-2-methylmorpholin-3-one has a molecular weight of 495.56 g/mol, XLogP of 2.20, 4 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(S)-(3-amino-9-oxo-8H-[1,2]thiazolo[5,4-f]quinazolin-7-yl)-hydroxymethyl]-4-[3-(2-hydroxypropan-2-yl)phenyl]-2-methylmorpholin-3-one is sourced from PubChem (CID 161193692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).