(2R)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2-pyridin-3-yl-2H-pyrrol-5-one

C22H26N4O4S — CID 1287619

IUPAC(2R)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2-pyridin-3-yl-2H-pyrrol-5-one
SMILESCc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccnc2)s1
InChIInChI=1S/C22H26N4O4S/c1-14-21(31-15(2)24-14)19(27)17-18(16-5-3-6-23-13-16)26(22(29)20(17)28)8-4-7-25-9-11-30-12-10-25/h3,5-6,13,18,28H,4,7-12H2,1-2H3/t18-/m1/s1
InChIKeyIUOQHBGDSZVISV-GOSISDBHSA-N
MW442.54 g/mol
LogP2.46
Rot. Bonds7

About (2R)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2-pyridin-3-yl-2H-pyrrol-5-one

(2R)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2-pyridin-3-yl-2H-pyrrol-5-one (PubChem CID 1287619) has the molecular formula C22H26N4O4S and a molecular weight of 442.54 g/mol. Its IUPAC name is (2R)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2-pyridin-3-yl-2H-pyrrol-5-one.

Molecular Properties

Compound Name(2R)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2-pyridin-3-yl-2H-pyrrol-5-one
PubChem CID1287619
Molecular FormulaC22H26N4O4S
Molecular Weight442.54 g/mol
Exact Mass442.17
IUPAC Name(2R)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2-pyridin-3-yl-2H-pyrrol-5-one
SMILESCc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccnc2)s1
InChIInChI=1S/C22H26N4O4S/c1-14-21(31-15(2)24-14)19(27)17-18(16-5-3-6-23-13-16)26(22(29)20(17)28)8-4-7-25-9-11-30-12-10-25/h3,5-6,13,18,28H,4,7-12H2,1-2H3/t18-/m1/s1
InChIKeyIUOQHBGDSZVISV-GOSISDBHSA-N
XLogP2.46
TPSA95.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.54
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(2S)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-pyridin-3-yl-2H-pyrrol-5-one
CID 6996950
3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2-phenyl-2H-pyrrol-5-one
CID 2951294
(2R)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-phenyl-2H-pyrrol-5-one
CID 40835319
(2S)-2-(3-chlorophenyl)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-5-one
CID 40923729
(2R)-2-(3-chlorophenyl)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-5-one
CID 40923733
2-(4-bromophenyl)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-5-one
CID 4235230
2-(3-butoxyphenyl)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-5-one
CID 4735277
2-(2-chlorophenyl)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-5-one
CID 4735290
1-[2-(dimethylamino)ethyl]-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one
CID 3727638
3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-(4-hexoxyphenyl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-5-one
CID 4735288
3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-2-pyridin-3-yl-2H-pyrrol-5-one
CID 5035364
4-hydroxy-2-(4-methylphenyl)-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-5-one
CID 5268388

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2-pyridin-3-yl-2H-pyrrol-5-one?
The IUPAC name of (2R)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2-pyridin-3-yl-2H-pyrrol-5-one (CID 1287619) is (2R)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2-pyridin-3-yl-2H-pyrrol-5-one.
What is the SMILES notation for (2R)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2-pyridin-3-yl-2H-pyrrol-5-one?
The canonical SMILES for (2R)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2-pyridin-3-yl-2H-pyrrol-5-one is Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccnc2)s1.
What is the InChIKey of (2R)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2-pyridin-3-yl-2H-pyrrol-5-one?
The InChIKey is IUOQHBGDSZVISV-GOSISDBHSA-N. The full InChI is InChI=1S/C22H26N4O4S/c1-14-21(31-15(2)24-14)19(27)17-18(16-5-3-6-23-13-16)26(22(29)20(17)28)8-4-7-25-9-11-30-12-10-25/h3,5-6,13,18,28H,4,7-12H2,1-2H3/t18-/m1/s1.
What are the key properties of (2R)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2-pyridin-3-yl-2H-pyrrol-5-one?
(2R)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2-pyridin-3-yl-2H-pyrrol-5-one has a molecular weight of 442.54 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2-pyridin-3-yl-2H-pyrrol-5-one is sourced from PubChem (CID 1287619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).